6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine

C14H23NS — CID 115708370

IUPAC6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCCc1ccsc1
InChIInChI=1S/C14H23NS/c1-12(2)5-4-6-13(3)15-9-7-14-8-10-16-11-14/h5,8,10-11,13,15H,4,6-7,9H2,1-3H3
InChIKeyXGFREHFAJYLNQQ-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.02
Rot. Bonds7

About 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine

6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine (PubChem CID 115708370) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
PubChem CID115708370
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCCc1ccsc1
InChIInChI=1S/C14H23NS/c1-12(2)5-4-6-13(3)15-9-7-14-8-10-16-11-14/h5,8,10-11,13,15H,4,6-7,9H2,1-3H3
InChIKeyXGFREHFAJYLNQQ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-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-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
3-(2-thiophen-3-ylethylamino)butanenitrile
CID 61474150
3-[(3E,7E,11E,15E)-4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]thiophene
CID 54588649
3-(4-methoxypent-3-enyl)thiophene
CID 163190308
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
1-chloro-4-methyl-N-(2-thiophen-3-ylethyl)pentan-3-amine
CID 106353903
3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene
CID 89431402
3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene
CID 123295614
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine (CID 115708370) is 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine is CC(C)=CCCC(C)NCCc1ccsc1.
What is the InChIKey of 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine?
The InChIKey is XGFREHFAJYLNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-12(2)5-4-6-13(3)15-9-7-14-8-10-16-11-14/h5,8,10-11,13,15H,4,6-7,9H2,1-3H3.
What are the key properties of 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine?
6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine has a molecular weight of 237.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine is sourced from PubChem (CID 115708370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).