2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine

C17H29NS — CID 43673863

IUPAC2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCCCC1C(C)(C)C)c1cccs1
InChIInChI=1S/C17H29NS/c1-5-14(16-11-8-12-19-16)18-15-10-7-6-9-13(15)17(2,3)4/h8,11-15,18H,5-7,9-10H2,1-4H3
InChIKeyJMWUXJOPXFOXAF-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.39
Rot. Bonds4

About 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine

2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 43673863) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID43673863
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCCCC1C(C)(C)C)c1cccs1
InChIInChI=1S/C17H29NS/c1-5-14(16-11-8-12-19-16)18-15-10-7-6-9-13(15)17(2,3)4/h8,11-15,18H,5-7,9-10H2,1-4H3
InChIKeyJMWUXJOPXFOXAF-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 81321669
2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
CID 62741344
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
CID 115893597
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 43673863) is 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine is CCC(NC1CCCCC1C(C)(C)C)c1cccs1.
What is the InChIKey of 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is JMWUXJOPXFOXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-14(16-11-8-12-19-16)18-15-10-7-6-9-13(15)17(2,3)4/h8,11-15,18H,5-7,9-10H2,1-4H3.
What are the key properties of 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine?
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 43673863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).