(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine

C9H14N2 — CID 88923578

IUPAC(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
SMILESC=C/C=C\N(/N=C\C)C(=C)C
InChIInChI=1S/C9H14N2/c1-5-7-8-11(9(3)4)10-6-2/h5-8H,1,3H2,2,4H3/b8-7-,10-6-
InChIKeyQPMAVQJJRBJWEF-OYIUBJQVSA-N
MW150.22 g/mol
LogP2.53
Rot. Bonds4

About (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine

(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine (PubChem CID 88923578) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
PubChem CID88923578
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
SMILESC=C/C=C\N(/N=C\C)C(=C)C
InChIInChI=1S/C9H14N2/c1-5-7-8-11(9(3)4)10-6-2/h5-8H,1,3H2,2,4H3/b8-7-,10-6-
InChIKeyQPMAVQJJRBJWEF-OYIUBJQVSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-fluoro-2-methylidene-1-pyridinyl)ethanimine
CID 139374508
(6Z)-1-methyl-6-prop-2-enylidenepyridazine
CID 88886126
(Z)-N-[(Z)-ethylideneamino]-N-methylprop-1-en-1-amine
CID 88894494
(1Z)-N-[(Z)-ethylideneamino]-N-propan-2-ylbuta-1,3-dien-1-amine
CID 88922600
N-[(Z)-ethylideneamino]-N-methylprop-1-en-2-amine
CID 89308770
N-methyl-N-(propylideneamino)prop-1-en-1-amine
CID 90830969
N-(ethylideneamino)-N-methylhexa-2,4-dien-2-amine
CID 90945235
N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine
CID 91026933
N-[(E)-ethylideneamino]-N-methylprop-1-en-2-amine
CID 118973123
N-[(Z)-ethylideneamino]-N-methyl-2H-azet-1-amine
CID 118983530
2-methyl-N-prop-1-enyl-N-(propylideneamino)propan-2-amine
CID 123228998
N-(ethylideneamino)-N-methylprop-1-en-1-amine
CID 123302526

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine (CID 88923578) is (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine is C=C/C=C\N(/N=C\C)C(=C)C.
What is the InChIKey of (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine?
The InChIKey is QPMAVQJJRBJWEF-OYIUBJQVSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-7-8-11(9(3)4)10-6-2/h5-8H,1,3H2,2,4H3/b8-7-,10-6-.
What are the key properties of (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine?
(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 88923578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).