N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine

C11H19N — CID 155297345

IUPACN-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine
SMILESC=CCC/C(N=C)=C(\C)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-8-11(12-5)10(4)9(2)3/h6,9H,1,5,7-8H2,2-4H3/b11-10-
InChIKeyRJNCOLXKGHNHHR-KHPPLWFESA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds5

About N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine

N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine (PubChem CID 155297345) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine
PubChem CID155297345
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine
SMILESC=CCC/C(N=C)=C(\C)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-8-11(12-5)10(4)9(2)3/h6,9H,1,5,7-8H2,2-4H3/b11-10-
InChIKeyRJNCOLXKGHNHHR-KHPPLWFESA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine?
The IUPAC name of N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine (CID 155297345) is N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine.
What is the SMILES notation for N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine?
The canonical SMILES for N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine is C=CCC/C(N=C)=C(\C)C(C)C.
What is the InChIKey of N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine?
The InChIKey is RJNCOLXKGHNHHR-KHPPLWFESA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-8-11(12-5)10(4)9(2)3/h6,9H,1,5,7-8H2,2-4H3/b11-10-.
What are the key properties of N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine?
N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine is sourced from PubChem (CID 155297345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).