3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine

C15H25NS — CID 107447910

IUPAC3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(C)C)C1)c1cccs1
InChIInChI=1S/C15H25NS/c1-11(2)13-6-4-7-14(10-13)16-12(3)15-8-5-9-17-15/h5,8-9,11-14,16H,4,6-7,10H2,1-3H3
InChIKeyJDBIOXPKMAIMPT-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.61
Rot. Bonds4

About 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine

3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine (PubChem CID 107447910) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
PubChem CID107447910
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(C)C)C1)c1cccs1
InChIInChI=1S/C15H25NS/c1-11(2)13-6-4-7-14(10-13)16-12(3)15-8-5-9-17-15/h5,8-9,11-14,16H,4,6-7,10H2,1-3H3
InChIKeyJDBIOXPKMAIMPT-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
methyl 3-[(3-propan-2-ylcyclohexyl)amino]-3-thiophen-2-ylpropanoate
CID 107448173
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
N-[(1S)-1-thiophen-2-ylethyl]oxepan-4-amine
CID 81398399
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64594870
(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637623
3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398337
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
CID 103720059
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
trans-(1R,2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentan-1-ol
CID 102733840
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The IUPAC name of 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine (CID 107447910) is 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine is CC(NC1CCCC(C(C)C)C1)c1cccs1.
What is the InChIKey of 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
The InChIKey is JDBIOXPKMAIMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-11(2)13-6-4-7-14(10-13)16-12(3)15-8-5-9-17-15/h5,8-9,11-14,16H,4,6-7,10H2,1-3H3.
What are the key properties of 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine?
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 107447910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).