N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine

C9H15N — CID 153247341

IUPACN-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine
SMILESC=C/C=C(\CC(C)C)N=C
InChIInChI=1S/C9H15N/c1-5-6-9(10-4)7-8(2)3/h5-6,8H,1,4,7H2,2-3H3/b9-6+
InChIKeyWSQBLNZNQPBXFO-RMKNXTFCSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds4

About N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine

N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine (PubChem CID 153247341) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine
PubChem CID153247341
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine
SMILESC=C/C=C(\CC(C)C)N=C
InChIInChI=1S/C9H15N/c1-5-6-9(10-4)7-8(2)3/h5-6,8H,1,4,7H2,2-3H3/b9-6+
InChIKeyWSQBLNZNQPBXFO-RMKNXTFCSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
CID 89198232
methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate
CID 89198243
N-[1-(6-fluoro-6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298306
N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298650
N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
CID 143321312
N-[(3E)-3-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
CID 144144952
N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 171630746
N-[(3E,5Z)-4-fluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 174171277
N-cyclohexa-1,3-dien-1-ylmethanimine
CID 18317079
[(Z)-5-(methanidylideneamino)-2-methylhex-4-en-3-ylidene]tungsten
CID 58930809
N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine
CID 90908708
N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
CID 118616451

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine?
The IUPAC name of N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine (CID 153247341) is N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine.
What is the SMILES notation for N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine?
The canonical SMILES for N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine is C=C/C=C(\CC(C)C)N=C.
What is the InChIKey of N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine?
The InChIKey is WSQBLNZNQPBXFO-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-9(10-4)7-8(2)3/h5-6,8H,1,4,7H2,2-3H3/b9-6+.
What are the key properties of N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine?
N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine is sourced from PubChem (CID 153247341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).