2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine

C16H27NS — CID 81321669

IUPAC2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C)(C)CC1C)c1cccs1
InChIInChI=1S/C16H27NS/c1-5-13(15-7-6-10-18-15)17-14-8-9-16(3,4)11-12(14)2/h6-7,10,12-14,17H,5,8-9,11H2,1-4H3
InChIKeyFCGQLJNSTYUFQT-UHFFFAOYSA-N
MW265.47 g/mol
LogP5.00
Rot. Bonds4

About 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine

2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 81321669) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID81321669
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C)(C)CC1C)c1cccs1
InChIInChI=1S/C16H27NS/c1-5-13(15-7-6-10-18-15)17-14-8-9-16(3,4)11-12(14)2/h6-7,10,12-14,17H,5,8-9,11H2,1-4H3
InChIKeyFCGQLJNSTYUFQT-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63453924
2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 106662456
N-[(2,2-dimethylcyclopropyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103902072
N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320860
N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895449
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895590

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 81321669) is 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine is CCC(NC1CCC(C)(C)CC1C)c1cccs1.
What is the InChIKey of 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is FCGQLJNSTYUFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-13(15-7-6-10-18-15)17-14-8-9-16(3,4)11-12(14)2/h6-7,10,12-14,17H,5,8-9,11H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 81321669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).