N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine

C13H21NS — CID 146535079

IUPACN-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(c2cccs2)CCCCC1
InChIInChI=1S/C13H21NS/c1-11(2)14-13(8-4-3-5-9-13)12-7-6-10-15-12/h6-7,10-11,14H,3-5,8-9H2,1-2H3
InChIKeyVOCVIDGVRBDMCG-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.91
Rot. Bonds3

About N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine

N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine (PubChem CID 146535079) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine
PubChem CID146535079
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(c2cccs2)CCCCC1
InChIInChI=1S/C13H21NS/c1-11(2)14-13(8-4-3-5-9-13)12-7-6-10-15-12/h6-7,10-11,14H,3-5,8-9H2,1-2H3
InChIKeyVOCVIDGVRBDMCG-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-thiophen-2-ylcyclohexyl)ethanamine
CID 68673941
N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
CID 55095998
2-[1-(2-methylpropyl)cyclohexyl]thiophene
CID 121406244
[2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate
CID 119099328
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 53299308
2-propan-2-yl-2-thiophen-2-ylpiperidine
CID 117271337
dimethyl-(1-thiophen-2-ylcyclopentyl)phosphane
CID 175478695
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
2-methyl-2-thiophen-2-ylpiperidine
CID 83530082
2,5-dimethyl-N-(1-thiophen-2-ylcyclopentyl)furan-3-carboxamide
CID 121016515
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine?
The IUPAC name of N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine (CID 146535079) is N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine?
The canonical SMILES for N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine is CC(C)NC1(c2cccs2)CCCCC1.
What is the InChIKey of N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine?
The InChIKey is VOCVIDGVRBDMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-11(2)14-13(8-4-3-5-9-13)12-7-6-10-15-12/h6-7,10-11,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine?
N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine has a molecular weight of 223.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine is sourced from PubChem (CID 146535079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).