N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine

C9H15N — CID 144727319

IUPACN-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine
SMILESC=NC(C)C=C(C)/C=C\C
InChIInChI=1S/C9H15N/c1-5-6-8(2)7-9(3)10-4/h5-7,9H,4H2,1-3H3/b6-5-,8-7?
InChIKeyNBLCSMLMYPNHBO-QAOMMZDPSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds3

About N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine

N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine (PubChem CID 144727319) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine
PubChem CID144727319
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine
SMILESC=NC(C)C=C(C)/C=C\C
InChIInChI=1S/C9H15N/c1-5-6-8(2)7-9(3)10-4/h5-7,9H,4H2,1-3H3/b6-5-,8-7?
InChIKeyNBLCSMLMYPNHBO-QAOMMZDPSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
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

Diethylideneaniline
CID 70417807
N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine
CID 89204023
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
CID 142913204
N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine
CID 142913277
(2Z,4E)-N-fluoro-N-methyl-4-[1-(methylideneamino)ethyl]hexa-2,4-dien-1-amine
CID 142913365
N-[(2Z,4E)-2-fluoro-3-methylhexa-2,4-dienyl]methanimine
CID 168197128
N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine
CID 20817701
N-pent-3-en-2-ylmethanimine
CID 57104228
2-methyl-5-methylidene-2H-pyridine
CID 69535424
N-[(1Z,3E)-3-ethenylhexa-1,3-dienyl]methanimine
CID 88863922

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine?
The IUPAC name of N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine (CID 144727319) is N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine.
What is the SMILES notation for N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine?
The canonical SMILES for N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine is C=NC(C)C=C(C)/C=C\C.
What is the InChIKey of N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine?
The InChIKey is NBLCSMLMYPNHBO-QAOMMZDPSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-8(2)7-9(3)10-4/h5-7,9H,4H2,1-3H3/b6-5-,8-7?.
What are the key properties of N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine?
N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-4-methylhepta-3,5-dien-2-yl]methanimine is sourced from PubChem (CID 144727319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).