3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine

C12H19NS — CID 115709542

IUPAC3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1ccsc1
InChIInChI=1S/C12H19NS/c1-4-5-10(2)11(3)13-8-12-6-7-14-9-12/h4,6-7,9-11,13H,1,5,8H2,2-3H3
InChIKeyLOXQNYSVUZVIGF-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.44
Rot. Bonds6

About 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine

3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine (PubChem CID 115709542) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine
PubChem CID115709542
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1ccsc1
InChIInChI=1S/C12H19NS/c1-4-5-10(2)11(3)13-8-12-6-7-14-9-12/h4,6-7,9-11,13H,1,5,8H2,2-3H3
InChIKeyLOXQNYSVUZVIGF-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.44
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

1-(4-bromophenyl)-2-(thiophen-3-ylmethylamino)propan-1-ol
CID 111421817
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine
CID 115891774
2-(thiophen-3-ylmethylamino)propane-1,3-diol
CID 65312761
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 79278997
5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789
1-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 63247754
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
CID 115906693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine?
The IUPAC name of 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine (CID 115709542) is 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine is C=CCC(C)C(C)NCc1ccsc1.
What is the InChIKey of 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine?
The InChIKey is LOXQNYSVUZVIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-5-10(2)11(3)13-8-12-6-7-14-9-12/h4,6-7,9-11,13H,1,5,8H2,2-3H3.
What are the key properties of 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine?
3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 115709542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).