(1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine

C9H19N3 — CID 138702947

IUPAC(1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine
SMILESCNC(C)/C=C(\C=C/N)C(C)N
InChIInChI=1S/C9H19N3/c1-7(12-3)6-9(4-5-10)8(2)11/h4-8,12H,10-11H2,1-3H3/b5-4-,9-6+
InChIKeyGPIMSNMJMBYOSG-KMOPYBJPSA-N
MW169.27 g/mol
LogP0.34
Rot. Bonds4

About (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine

(1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine (PubChem CID 138702947) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine
PubChem CID138702947
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine
SMILESCNC(C)/C=C(\C=C/N)C(C)N
InChIInChI=1S/C9H19N3/c1-7(12-3)6-9(4-5-10)8(2)11/h4-8,12H,10-11H2,1-3H3/b5-4-,9-6+
InChIKeyGPIMSNMJMBYOSG-KMOPYBJPSA-N
XLogP0.34
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-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

(1Z,3Z)-6-methyl-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 142529959
(3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine
CID 134365843
(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 126626487
(E)-2-ethenyl-4-(methylamino)pent-2-ene-1-thiol
CID 126727999
(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine
CID 142924416
(E)-3-ethenyl-5-(2-methylhydrazinyl)pent-3-en-2-amine
CID 138702842
N-methylbut-3-en-2-amine;hydrochloride
CID 75525004
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
1-amino-5-methylhex-1-ene-3-thione
CID 174026432
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
(1Z,3Z)-5-methyl-3-propylhexa-1,3-dien-1-amine
CID 146360767

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine?
The IUPAC name of (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine (CID 138702947) is (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine?
The canonical SMILES for (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine is CNC(C)/C=C(\C=C/N)C(C)N.
What is the InChIKey of (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine?
The InChIKey is GPIMSNMJMBYOSG-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(12-3)6-9(4-5-10)8(2)11/h4-8,12H,10-11H2,1-3H3/b5-4-,9-6+.
What are the key properties of (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine?
(1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine is sourced from PubChem (CID 138702947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).