4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine

C12H21NS — CID 83156028

IUPAC4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
SMILESCC(C)CCCN[C@@H](C)c1cccs1
InChIInChI=1S/C12H21NS/c1-10(2)6-4-8-13-11(3)12-7-5-9-14-12/h5,7,9-11,13H,4,6,8H2,1-3H3/t11-/m0/s1
InChIKeyHKLNKDYNOIUQOS-NSHDSACASA-N
MW211.37 g/mol
LogP3.83
Rot. Bonds6

About 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine

4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine (PubChem CID 83156028) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
PubChem CID83156028
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
SMILESCC(C)CCCN[C@@H](C)c1cccs1
InChIInChI=1S/C12H21NS/c1-10(2)6-4-8-13-11(3)12-7-5-9-14-12/h5,7,9-11,13H,4,6,8H2,1-3H3/t11-/m0/s1
InChIKeyHKLNKDYNOIUQOS-NSHDSACASA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-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-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine (CID 83156028) is 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine is CC(C)CCCN[C@@H](C)c1cccs1.
What is the InChIKey of 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine?
The InChIKey is HKLNKDYNOIUQOS-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NS/c1-10(2)6-4-8-13-11(3)12-7-5-9-14-12/h5,7,9-11,13H,4,6,8H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine?
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine is sourced from PubChem (CID 83156028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).