N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine

C83H99N5OS3 — CID 159625554

IUPACN-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine
SMILESc1cc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)cs1.c1coc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1.c1csc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1.c1csc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cn2)c1
InChIInChI=1S/C21H25NO.2C21H25NS.C20H24N2S/c1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21;1-3-19(20-5-6-23-14-20)4-2-15(1)13-22-21-10-16-7-17(11-21)9-18(8-16)12-21;1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21;1-2-19(23-5-1)18-4-3-14(12-21-18)13-22-20-9-15-6-16(10-20)8-17(7-15)11-20/h1-7,16-18,22H,8-14H2;1-6,14,16-18,22H,7-13H2;1-7,16-18,22H,8-14H2;1-5,12,15-17,22H,6-11,13H2
InChIKeyMOLCHAZOLRHYLA-UHFFFAOYSA-N
MW1278.94 g/mol
LogP20.82
Rot. Bonds16

About N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine

N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine (PubChem CID 159625554) has the molecular formula C83H99N5OS3 and a molecular weight of 1278.94 g/mol. Its IUPAC name is N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine
PubChem CID159625554
Molecular FormulaC83H99N5OS3
Molecular Weight1278.94 g/mol
Exact Mass1277.70
IUPAC NameN-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine
SMILESc1cc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)cs1.c1coc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1.c1csc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1.c1csc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cn2)c1
InChIInChI=1S/C21H25NO.2C21H25NS.C20H24N2S/c1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21;1-3-19(20-5-6-23-14-20)4-2-15(1)13-22-21-10-16-7-17(11-21)9-18(8-16)12-21;1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21;1-2-19(23-5-1)18-4-3-14(12-21-18)13-22-20-9-15-6-16(10-20)8-17(7-15)11-20/h1-7,16-18,22H,8-14H2;1-6,14,16-18,22H,7-13H2;1-7,16-18,22H,8-14H2;1-5,12,15-17,22H,6-11,13H2
InChIKeyMOLCHAZOLRHYLA-UHFFFAOYSA-N
XLogP20.82
TPSA74.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001278.94
LogP ≤ 520.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 173262702
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 23437885
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 23438234
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[7-(9H-fluoren-9-yl)-2-(furan-2-yl)-8-methyl-3-thiophen-2-ylnaphthalen-1-yl]pyridine
CID 53850286
N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine
CID 91167924
2-[2-[8-[8-[8-[2-(1,2-Dihydropyridin-2-yl)phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 117900816
N-[4-[5-[4-(N-pyridin-4-yl-4-thiophen-2-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-thiophen-2-ylphenyl)pyridin-4-amine
CID 122659658
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
4-[5-[5-[(1-adamantylamino)methyl]-2-pyridinyl]furan-2-yl]-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]adamantan-1-amine
CID 123675596

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine?
The IUPAC name of N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine (CID 159625554) is N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine is c1cc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)cs1.c1coc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1.c1csc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1.c1csc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cn2)c1.
What is the InChIKey of N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine?
The InChIKey is MOLCHAZOLRHYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO.2C21H25NS.C20H24N2S/c1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21;1-3-19(20-5-6-23-14-20)4-2-15(1)13-22-21-10-16-7-17(11-21)9-18(8-16)12-21;1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21;1-2-19(23-5-1)18-4-3-14(12-21-18)13-22-20-9-15-6-16(10-20)8-17(7-15)11-20/h1-7,16-18,22H,8-14H2;1-6,14,16-18,22H,7-13H2;1-7,16-18,22H,8-14H2;1-5,12,15-17,22H,6-11,13H2.
What are the key properties of N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine?
N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine has a molecular weight of 1278.94 g/mol, XLogP of 20.82, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine is sourced from PubChem (CID 159625554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).