N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine

C19H33NS — CID 104575012

IUPACN-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCC1CCC(C(C)(C)C)CC1)c1cccs1
InChIInChI=1S/C19H33NS/c1-5-7-17(18-8-6-13-21-18)20-14-15-9-11-16(12-10-15)19(2,3)4/h6,8,13,15-17,20H,5,7,9-12,14H2,1-4H3
InChIKeyOHSFOSMNOLWDOD-UHFFFAOYSA-N
MW307.55 g/mol
LogP6.03
Rot. Bonds6

About N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine

N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine (PubChem CID 104575012) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine
PubChem CID104575012
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCC1CCC(C(C)(C)C)CC1)c1cccs1
InChIInChI=1S/C19H33NS/c1-5-7-17(18-8-6-13-21-18)20-14-15-9-11-16(12-10-15)19(2,3)4/h6,8,13,15-17,20H,5,7,9-12,14H2,1-4H3
InChIKeyOHSFOSMNOLWDOD-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-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

N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
CID 103730198
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418517
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
1-thiophen-2-yl-N-[(2,4,5-trifluorophenyl)methyl]butan-1-amine
CID 103792753
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine (CID 104575012) is N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine is CCCC(NCC1CCC(C(C)(C)C)CC1)c1cccs1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The InChIKey is OHSFOSMNOLWDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-5-7-17(18-8-6-13-21-18)20-14-15-9-11-16(12-10-15)19(2,3)4/h6,8,13,15-17,20H,5,7,9-12,14H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine has a molecular weight of 307.55 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 104575012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).