(3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine

C9H12N2 — CID 142316857

IUPAC(3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=C/C=C\C(=C)N(C=C)N=C
InChIInChI=1S/C9H12N2/c1-5-7-8-9(3)11(6-2)10-4/h5-8H,1-4H2/b8-7-
InChIKeyXXXIIGLDKVFWHC-FPLPWBNLSA-N
MW148.21 g/mol
LogP2.30
Rot. Bonds5

About (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine

(3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine (PubChem CID 142316857) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
PubChem CID142316857
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=C/C=C\C(=C)N(C=C)N=C
InChIInChI=1S/C9H12N2/c1-5-7-8-9(3)11(6-2)10-4/h5-8H,1-4H2/b8-7-
InChIKeyXXXIIGLDKVFWHC-FPLPWBNLSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.30
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

N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine
CID 177355849
(2Z,4Z,6Z)-N-methyl-N-(methylideneamino)nona-2,4,6,8-tetraen-2-amine
CID 88328215
N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-2-amine
CID 91141901
Methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium
CID 123841124
N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine
CID 123968534
N-(2-methylidene-1-pyridinyl)methanimine
CID 124019916
(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine
CID 126536976
N-[(2Z)-2-ethylidene-1-pyridinyl]methanimine
CID 130279313
(Z)-N-[(2Z)-2-ethylidene-1-pyridinyl]ethanimine
CID 130370505
(Z)-N-(2-methylidene-1-pyridinyl)prop-2-en-1-imine
CID 131981905
(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine
CID 134286725
(2Z)-2-ethylidene-N,N-dimethylpyridin-1-amine
CID 137420161

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine (CID 142316857) is (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine is C=C/C=C\C(=C)N(C=C)N=C.
What is the InChIKey of (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine?
The InChIKey is XXXIIGLDKVFWHC-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H12N2/c1-5-7-8-9(3)11(6-2)10-4/h5-8H,1-4H2/b8-7-.
What are the key properties of (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine?
(3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine has a molecular weight of 148.21 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142316857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).