N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine

C15H23NS — CID 81024776

IUPACN-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESc1cc(CC2CCCCC2CNC2CC2)cs1
InChIInChI=1S/C15H23NS/c1-2-4-14(10-16-15-5-6-15)13(3-1)9-12-7-8-17-11-12/h7-8,11,13-16H,1-6,9-10H2
InChIKeyATGSFNAHLLFRDZ-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.85
Rot. Bonds5

About N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine

N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81024776) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81024776
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESc1cc(CC2CCCCC2CNC2CC2)cs1
InChIInChI=1S/C15H23NS/c1-2-4-14(10-16-15-5-6-15)13(3-1)9-12-7-8-17-11-12/h7-8,11,13-16H,1-6,9-10H2
InChIKeyATGSFNAHLLFRDZ-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81026994
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
N-methyl-1-[2-(thiophen-3-ylmethyl)cyclopentyl]methanamine
CID 81032845
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 81026278
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373
N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034512
N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026989
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025222

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine (CID 81024776) is N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine is c1cc(CC2CCCCC2CNC2CC2)cs1.
What is the InChIKey of N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is ATGSFNAHLLFRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-4-14(10-16-15-5-6-15)13(3-1)9-12-7-8-17-11-12/h7-8,11,13-16H,1-6,9-10H2.
What are the key properties of N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 249.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81024776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).