2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine

C18H29NS — CID 81398668

IUPAC2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C1CCCCC1)c1cccs1
InChIInChI=1S/C18H29NS/c1-14(18-12-7-13-20-18)19-17-11-6-5-10-16(17)15-8-3-2-4-9-15/h7,12-17,19H,2-6,8-11H2,1H3/t14-,16?,17?/m0/s1
InChIKeyOGROIFHMLUXVLU-OOHWJJMZSA-N
MW291.50 g/mol
LogP5.54
Rot. Bonds4

About 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine

2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine (PubChem CID 81398668) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
PubChem CID81398668
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C1CCCCC1)c1cccs1
InChIInChI=1S/C18H29NS/c1-14(18-12-7-13-20-18)19-17-11-6-5-10-16(17)15-8-3-2-4-9-15/h7,12-17,19H,2-6,8-11H2,1H3/t14-,16?,17?/m0/s1
InChIKeyOGROIFHMLUXVLU-OOHWJJMZSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
N-[(1R)-1-thiophen-2-ylethyl]bicyclo[3.1.0]hexan-2-amine
CID 130525491
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481
trans-(1R,2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentan-1-ol
CID 102733840
2-pyrrolidin-2-yl-N-[(1S)-1-thiophen-2-ylethyl]cyclopentan-1-amine
CID 81398761
2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
CID 81398612
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol
CID 54963529
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine (CID 81398668) is 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine is C[C@H](NC1CCCCC1C1CCCCC1)c1cccs1.
What is the InChIKey of 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
The InChIKey is OGROIFHMLUXVLU-OOHWJJMZSA-N. The full InChI is InChI=1S/C18H29NS/c1-14(18-12-7-13-20-18)19-17-11-6-5-10-16(17)15-8-3-2-4-9-15/h7,12-17,19H,2-6,8-11H2,1H3/t14-,16?,17?/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine?
2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 81398668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).