N-propyl-2-thiophen-2-ylcyclohexan-1-amine

C13H21NS — CID 62603861

IUPACN-propyl-2-thiophen-2-ylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cccs1
InChIInChI=1S/C13H21NS/c1-2-9-14-12-7-4-3-6-11(12)13-8-5-10-15-13/h5,8,10-12,14H,2-4,6-7,9H2,1H3
InChIKeyWEDJCKWSFAFXEG-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.77
Rot. Bonds4

About N-propyl-2-thiophen-2-ylcyclohexan-1-amine

N-propyl-2-thiophen-2-ylcyclohexan-1-amine (PubChem CID 62603861) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-propyl-2-thiophen-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-2-thiophen-2-ylcyclohexan-1-amine
PubChem CID62603861
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-propyl-2-thiophen-2-ylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cccs1
InChIInChI=1S/C13H21NS/c1-2-9-14-12-7-4-3-6-11(12)13-8-5-10-15-13/h5,8,10-12,14H,2-4,6-7,9H2,1H3
InChIKeyWEDJCKWSFAFXEG-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine
CID 81417156
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616023
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
CID 114605846
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
CID 82242346
2-(7-chloro-1-benzofuran-2-yl)-N-propylcyclohexan-1-amine
CID 114732912

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-thiophen-2-ylcyclohexan-1-amine?
The IUPAC name of N-propyl-2-thiophen-2-ylcyclohexan-1-amine (CID 62603861) is N-propyl-2-thiophen-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-propyl-2-thiophen-2-ylcyclohexan-1-amine?
The canonical SMILES for N-propyl-2-thiophen-2-ylcyclohexan-1-amine is CCCNC1CCCCC1c1cccs1.
What is the InChIKey of N-propyl-2-thiophen-2-ylcyclohexan-1-amine?
The InChIKey is WEDJCKWSFAFXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-9-14-12-7-4-3-6-11(12)13-8-5-10-15-13/h5,8,10-12,14H,2-4,6-7,9H2,1H3.
What are the key properties of N-propyl-2-thiophen-2-ylcyclohexan-1-amine?
N-propyl-2-thiophen-2-ylcyclohexan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-thiophen-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62603861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).