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

C9H15N — CID 144530555

IUPACN-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine
SMILESC=NC(C)(C)/C=C\C(=C)C
InChIInChI=1S/C9H15N/c1-8(2)6-7-9(3,4)10-5/h6-7H,1,5H2,2-4H3/b7-6-
InChIKeyKKTBYUFWHSGKAH-SREVYHEPSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds3

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

N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine (PubChem CID 144530555) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine
PubChem CID144530555
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine
SMILESC=NC(C)(C)/C=C\C(=C)C
InChIInChI=1S/C9H15N/c1-8(2)6-7-9(3,4)10-5/h6-7H,1,5H2,2-4H3/b7-6-
InChIKeyKKTBYUFWHSGKAH-SREVYHEPSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine?
The IUPAC name of N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine (CID 144530555) is N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine.
What is the SMILES notation for N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine?
The canonical SMILES for N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine is C=NC(C)(C)/C=C\C(=C)C.
What is the InChIKey of N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine?
The InChIKey is KKTBYUFWHSGKAH-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)6-7-9(3,4)10-5/h6-7H,1,5H2,2-4H3/b7-6-.
What are the key properties of N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine?
N-[(3Z)-2,5-dimethylhexa-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-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]methanimine is sourced from PubChem (CID 144530555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).