N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine

C13H19NS — CID 62091594

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
SMILESCC(NCC1CC=CCC1)c1ccsc1
InChIInChI=1S/C13H19NS/c1-11(13-7-8-15-10-13)14-9-12-5-3-2-4-6-12/h2-3,7-8,10-12,14H,4-6,9H2,1H3
InChIKeyLZVQDERTCZDCPJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.76
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine (PubChem CID 62091594) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
PubChem CID62091594
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
SMILESCC(NCC1CC=CCC1)c1ccsc1
InChIInChI=1S/C13H19NS/c1-11(13-7-8-15-10-13)14-9-12-5-3-2-4-6-12/h2-3,7-8,10-12,14H,4-6,9H2,1H3
InChIKeyLZVQDERTCZDCPJ-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 64927505
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090
1-(4-bromo-2-fluorophenyl)-N-(cyclohex-3-en-1-ylmethyl)ethanamine
CID 82964326
N-[(1,1-dioxothiolan-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 81038590
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225394

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine (CID 62091594) is N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine is CC(NCC1CC=CCC1)c1ccsc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine?
The InChIKey is LZVQDERTCZDCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-11(13-7-8-15-10-13)14-9-12-5-3-2-4-6-12/h2-3,7-8,10-12,14H,4-6,9H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine has a molecular weight of 221.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62091594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).