(Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine

C9H18N2 — CID 89185746

IUPAC(Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine
SMILESC/C=C\C(CN)=C(/CC)NC
InChIInChI=1S/C9H18N2/c1-4-6-8(7-10)9(5-2)11-3/h4,6,11H,5,7,10H2,1-3H3/b6-4-,9-8-
InChIKeyOKJHVAJFUMQXHT-KDAARUEYSA-N
MW154.26 g/mol
LogP1.40
Rot. Bonds4

About (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine

(Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine (PubChem CID 89185746) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine
PubChem CID89185746
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine
SMILESC/C=C\C(CN)=C(/CC)NC
InChIInChI=1S/C9H18N2/c1-4-6-8(7-10)9(5-2)11-3/h4,6,11H,5,7,10H2,1-3H3/b6-4-,9-8-
InChIKeyOKJHVAJFUMQXHT-KDAARUEYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethyl-1,4-Azepin
CID 21560535
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134365557
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
CID 138528342
(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine
CID 139402965
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
(3E)-3-fluoro-5-methyl-N-(3-methylbut-2-enyl)hexa-1,3,5-trien-2-amine
CID 142089087
(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 142956605
(3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 142964928

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine?
The IUPAC name of (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine (CID 89185746) is (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine.
What is the SMILES notation for (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine?
The canonical SMILES for (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine is C/C=C\C(CN)=C(/CC)NC.
What is the InChIKey of (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine?
The InChIKey is OKJHVAJFUMQXHT-KDAARUEYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-8(7-10)9(5-2)11-3/h4,6,11H,5,7,10H2,1-3H3/b6-4-,9-8-.
What are the key properties of (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine?
(Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine is sourced from PubChem (CID 89185746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).