N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine

C18H29NS — CID 102839076

IUPACN-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)C(c2ccsc2C)C1
InChIInChI=1S/C18H29NS/c1-3-4-14-5-6-15(12-19-16-7-8-16)18(11-14)17-9-10-20-13(17)2/h9-10,14-16,18-19H,3-8,11-12H2,1-2H3
InChIKeyIZACRTJLZKKUIL-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.11
Rot. Bonds6

About N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine

N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine (PubChem CID 102839076) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
PubChem CID102839076
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)C(c2ccsc2C)C1
InChIInChI=1S/C18H29NS/c1-3-4-14-5-6-15(12-19-16-7-8-16)18(11-14)17-9-10-20-13(17)2/h9-10,14-16,18-19H,3-8,11-12H2,1-2H3
InChIKeyIZACRTJLZKKUIL-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026555
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 107361282
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81032528
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81028987
N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81034644
N-[[4-tert-butyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]cyclopropanamine
CID 81023751
N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81033727
2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine
CID 81014515
1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029449
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029380

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine (CID 102839076) is N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine is CCCC1CCC(CNC2CC2)C(c2ccsc2C)C1.
What is the InChIKey of N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is IZACRTJLZKKUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-3-4-14-5-6-15(12-19-16-7-8-16)18(11-14)17-9-10-20-13(17)2/h9-10,14-16,18-19H,3-8,11-12H2,1-2H3.
What are the key properties of N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 291.50 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 102839076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).