3-ethyl-3-prop-2-enylhex-5-en-1-amine

C11H21N — CID 153496771

IUPAC3-ethyl-3-prop-2-enylhex-5-en-1-amine
SMILESC=CCC(CC)(CC=C)CCN
InChIInChI=1S/C11H21N/c1-4-7-11(6-3,8-5-2)9-10-12/h4-5H,1-2,6-10,12H2,3H3
InChIKeyZFJKVUYXHACDJT-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.88
Rot. Bonds7

About 3-ethyl-3-prop-2-enylhex-5-en-1-amine

3-ethyl-3-prop-2-enylhex-5-en-1-amine (PubChem CID 153496771) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-ethyl-3-prop-2-enylhex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-3-prop-2-enylhex-5-en-1-amine
PubChem CID153496771
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-ethyl-3-prop-2-enylhex-5-en-1-amine
SMILESC=CCC(CC)(CC=C)CCN
InChIInChI=1S/C11H21N/c1-4-7-11(6-3,8-5-2)9-10-12/h4-5H,1-2,6-10,12H2,3H3
InChIKeyZFJKVUYXHACDJT-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-prop-2-enylhex-5-en-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-ethyl-N-methyl-2-prop-2-enylpent-4-en-1-amine
CID 153496766
2,2-diethylbutane-1,4-diamine
CID 56990406
3,3-diethylhexane-1,6-diamine
CID 89464851
2,2-bis(prop-2-enyl)hexan-1-amine
CID 175019785
N-(2,2-diethylpent-4-enyl)-N-ethylhydroxylamine
CID 155131371
3-ethylpentane-1,3-diamine
CID 22019015
2-(2,2-diethylpent-4-enyl)oxirane
CID 135036656
3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride
CID 139891240
2-(aminomethyl)-2-prop-2-enylpent-4-en-1-ol
CID 170682410
2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
CID 142811014
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290
3,3-diethylhex-5-enyl piperazine-1-carboxylate
CID 129160317

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-prop-2-enylhex-5-en-1-amine?
The IUPAC name of 3-ethyl-3-prop-2-enylhex-5-en-1-amine (CID 153496771) is 3-ethyl-3-prop-2-enylhex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-3-prop-2-enylhex-5-en-1-amine?
The canonical SMILES for 3-ethyl-3-prop-2-enylhex-5-en-1-amine is C=CCC(CC)(CC=C)CCN.
What is the InChIKey of 3-ethyl-3-prop-2-enylhex-5-en-1-amine?
The InChIKey is ZFJKVUYXHACDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-7-11(6-3,8-5-2)9-10-12/h4-5H,1-2,6-10,12H2,3H3.
What are the key properties of 3-ethyl-3-prop-2-enylhex-5-en-1-amine?
3-ethyl-3-prop-2-enylhex-5-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-prop-2-enylhex-5-en-1-amine is sourced from PubChem (CID 153496771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).