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

C9H15N — CID 130183555

IUPACN-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine
SMILESC=NC(C)=CC(C)/C=C/C
InChIInChI=1S/C9H15N/c1-5-6-8(2)7-9(3)10-4/h5-8H,4H2,1-3H3/b6-5+,9-7?
InChIKeyMKKZEDAUICJEGP-CZUXNWOBSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

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

N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine (PubChem CID 130183555) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine
PubChem CID130183555
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine
SMILESC=NC(C)=CC(C)/C=C/C
InChIInChI=1S/C9H15N/c1-5-6-8(2)7-9(3)10-4/h5-8H,4H2,1-3H3/b6-5+,9-7?
InChIKeyMKKZEDAUICJEGP-CZUXNWOBSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine?
The IUPAC name of N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine (CID 130183555) is N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine.
What is the SMILES notation for N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine?
The canonical SMILES for N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine is C=NC(C)=CC(C)/C=C/C.
What is the InChIKey of N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine?
The InChIKey is MKKZEDAUICJEGP-CZUXNWOBSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-8(2)7-9(3)10-4/h5-8H,4H2,1-3H3/b6-5+,9-7?.
What are the key properties of N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine?
N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine is sourced from PubChem (CID 130183555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).