N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine

C18H29NS — CID 81031611

IUPACN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCCc1ccc(CC2CC(C)CCC2CNC2CC2)s1
InChIInChI=1S/C18H29NS/c1-3-17-8-9-18(20-17)11-15-10-13(2)4-5-14(15)12-19-16-6-7-16/h8-9,13-16,19H,3-7,10-12H2,1-2H3
InChIKeyNCVNPWBDISQPDG-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.66
Rot. Bonds6

About N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81031611) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81031611
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCCc1ccc(CC2CC(C)CCC2CNC2CC2)s1
InChIInChI=1S/C18H29NS/c1-3-17-8-9-18(20-17)11-15-10-13(2)4-5-14(15)12-19-16-6-7-16/h8-9,13-16,19H,3-7,10-12H2,1-2H3
InChIKeyNCVNPWBDISQPDG-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403838
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016974
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64908131
N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031376
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031821
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81034587
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81027975

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81031611) is N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine is CCc1ccc(CC2CC(C)CCC2CNC2CC2)s1.
What is the InChIKey of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is NCVNPWBDISQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-3-17-8-9-18(20-17)11-15-10-13(2)4-5-14(15)12-19-16-6-7-16/h8-9,13-16,19H,3-7,10-12H2,1-2H3.
What are the key properties of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 291.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81031611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).