N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine

C17H21NS — CID 43222651

IUPACN-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
SMILESc1ccc(-c2ccc(CNC3CCCCC3)s2)cc1
InChIInChI=1S/C17H21NS/c1-3-7-14(8-4-1)17-12-11-16(19-17)13-18-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13H2
InChIKeyXYZXNFHTCDYOAE-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.84
Rot. Bonds4

About N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine

N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine (PubChem CID 43222651) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
PubChem CID43222651
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
SMILESc1ccc(-c2ccc(CNC3CCCCC3)s2)cc1
InChIInChI=1S/C17H21NS/c1-3-7-14(8-4-1)17-12-11-16(19-17)13-18-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13H2
InChIKeyXYZXNFHTCDYOAE-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543876
1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine
CID 43222784
N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 43287376
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine
CID 43287171
N-[(5-phenylthiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611628
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine (CID 43222651) is N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine is c1ccc(-c2ccc(CNC3CCCCC3)s2)cc1.
What is the InChIKey of N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine?
The InChIKey is XYZXNFHTCDYOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-7-14(8-4-1)17-12-11-16(19-17)13-18-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13H2.
What are the key properties of N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine?
N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine has a molecular weight of 271.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 43222651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).