[[(2E)-hepta-2,5-dienylidene]amino]methanamine

C8H14N2 — CID 91299929

IUPAC[[(2E)-hepta-2,5-dienylidene]amino]methanamine
SMILESCC=CC/C=C/C=NCN
InChIInChI=1S/C8H14N2/c1-2-3-4-5-6-7-10-8-9/h2-3,5-7H,4,8-9H2,1H3/b3-2?,6-5+,10-7?
InChIKeyUVSYRUNEYLZPEW-MZYQKZQOSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds4

About [[(2E)-hepta-2,5-dienylidene]amino]methanamine

[[(2E)-hepta-2,5-dienylidene]amino]methanamine (PubChem CID 91299929) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is [[(2E)-hepta-2,5-dienylidene]amino]methanamine.

Molecular Properties

Compound Name[[(2E)-hepta-2,5-dienylidene]amino]methanamine
PubChem CID91299929
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name[[(2E)-hepta-2,5-dienylidene]amino]methanamine
SMILESCC=CC/C=C/C=NCN
InChIInChI=1S/C8H14N2/c1-2-3-4-5-6-7-10-8-9/h2-3,5-7H,4,8-9H2,1H3/b3-2?,6-5+,10-7?
InChIKeyUVSYRUNEYLZPEW-MZYQKZQOSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
2,3-Dihydropyridin-2-amine
CID 18669108
Octa-2,6-dien-1-imine
CID 172654188
[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 172018331
4H-azepin-2-amine
CID 15128281
2-Methylpyrrol-2-amine
CID 57074855
N-propylpent-2-en-1-imine
CID 57277336
N,N'-dimethylpent-2-ene-1,5-diimine
CID 85959556
(2Z,5Z)-N-ethylhepta-2,5-dien-1-imine
CID 87527289
(Z)-5-ethynyliminopent-3-en-1-amine
CID 89066955
(3-methyl-2H-pyridin-3-yl)methanamine
CID 89199498
N-[(Z)-hex-3-enylidene]methanimidamide
CID 89283748

Frequently Asked Questions

What is the IUPAC name of [[(2E)-hepta-2,5-dienylidene]amino]methanamine?
The IUPAC name of [[(2E)-hepta-2,5-dienylidene]amino]methanamine (CID 91299929) is [[(2E)-hepta-2,5-dienylidene]amino]methanamine.
What is the SMILES notation for [[(2E)-hepta-2,5-dienylidene]amino]methanamine?
The canonical SMILES for [[(2E)-hepta-2,5-dienylidene]amino]methanamine is CC=CC/C=C/C=NCN.
What is the InChIKey of [[(2E)-hepta-2,5-dienylidene]amino]methanamine?
The InChIKey is UVSYRUNEYLZPEW-MZYQKZQOSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-5-6-7-10-8-9/h2-3,5-7H,4,8-9H2,1H3/b3-2?,6-5+,10-7?.
What are the key properties of [[(2E)-hepta-2,5-dienylidene]amino]methanamine?
[[(2E)-hepta-2,5-dienylidene]amino]methanamine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2E)-hepta-2,5-dienylidene]amino]methanamine is sourced from PubChem (CID 91299929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).