N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine

C9H14N2 — CID 90886674

IUPACN-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine
SMILESC=NC/C(=C/C)C(=C)/N=C/C
InChIInChI=1S/C9H14N2/c1-5-9(7-10-4)8(3)11-6-2/h5-6H,3-4,7H2,1-2H3/b9-5-,11-6+
InChIKeyBGEDWYBMTFVVSP-YCQMDOFOSA-N
MW150.22 g/mol
LogP2.24
Rot. Bonds4

About N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine

N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine (PubChem CID 90886674) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine
PubChem CID90886674
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine
SMILESC=NC/C(=C/C)C(=C)/N=C/C
InChIInChI=1S/C9H14N2/c1-5-9(7-10-4)8(3)11-6-2/h5-6H,3-4,7H2,1-2H3/b9-5-,11-6+
InChIKeyBGEDWYBMTFVVSP-YCQMDOFOSA-N
XLogP2.24
TPSA24.72 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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylcyclohexa-1,5-dien-1-yl)ethanimine
CID 68266833
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimine
CID 89038846
(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
CID 89112517
N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]prop-2-en-1-imine
CID 89278502
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]prop-2-en-1-imine
CID 89502556
N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]ethanimine
CID 89502557
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]prop-2-en-1-imine
CID 90070795
N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine
CID 90734347
N-(4-methylidenehex-2-en-3-yl)ethanimine
CID 91332004
N-[(3E)-3-methylhexa-1,3-dien-2-yl]ethanimine
CID 91451392
N-(3-methylpenta-1,3-dien-2-yl)ethanimine
CID 91483413

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine?
The IUPAC name of N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine (CID 90886674) is N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine?
The canonical SMILES for N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine is C=NC/C(=C/C)C(=C)/N=C/C.
What is the InChIKey of N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine?
The InChIKey is BGEDWYBMTFVVSP-YCQMDOFOSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-9(7-10-4)8(3)11-6-2/h5-6H,3-4,7H2,1-2H3/b9-5-,11-6+.
What are the key properties of N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine?
N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine has a molecular weight of 150.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine is sourced from PubChem (CID 90886674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).