1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine

C11H25N3 — CID 91034521

IUPAC1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine
SMILESC=CC(N)C(CC)CCCNC(C)N
InChIInChI=1S/C11H25N3/c1-4-10(11(13)5-2)7-6-8-14-9(3)12/h5,9-11,14H,2,4,6-8,12-13H2,1,3H3
InChIKeyMJGBAVOCVUMTEZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.20
Rot. Bonds8

About 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine

1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine (PubChem CID 91034521) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine.

Molecular Properties

Compound Name1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine
PubChem CID91034521
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine
SMILESC=CC(N)C(CC)CCCNC(C)N
InChIInChI=1S/C11H25N3/c1-4-10(11(13)5-2)7-6-8-14-9(3)12/h5,9-11,14H,2,4,6-8,12-13H2,1,3H3
InChIKeyMJGBAVOCVUMTEZ-UHFFFAOYSA-N
XLogP1.20
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine 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

6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
4-ethyl-2-methyl-N-propylhex-5-en-3-amine
CID 170847793
N,3-dimethylhept-6-en-2-amine
CID 55286662
(6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine
CID 58293712
1-cyclohexyl-N-ethylprop-2-en-1-amine
CID 65575315
N'-(4-methylcyclohex-2-en-1-yl)methanediamine
CID 68263628
(3S,4S)-3-prop-2-enyl-4-N-propylhexane-1,4-diamine
CID 89067373
4-ethyl-N-methylhept-1-en-3-amine
CID 89163068
2-Ethenyl-4,6-dimethylpiperidine
CID 89207529
3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine
CID 90802479
1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
CID 91082347
4,6-Dimethyl-3-methylidenepiperidin-2-amine
CID 91275554

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine?
The IUPAC name of 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine (CID 91034521) is 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine.
What is the SMILES notation for 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine?
The canonical SMILES for 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine is C=CC(N)C(CC)CCCNC(C)N.
What is the InChIKey of 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine?
The InChIKey is MJGBAVOCVUMTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-10(11(13)5-2)7-6-8-14-9(3)12/h5,9-11,14H,2,4,6-8,12-13H2,1,3H3.
What are the key properties of 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine?
1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine has a molecular weight of 199.34 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine is sourced from PubChem (CID 91034521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).