5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine

C11H21N — CID 145164688

IUPAC5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine
SMILESC/C=C\N=C(/C)CCC(C)CC
InChIInChI=1S/C11H21N/c1-5-9-12-11(4)8-7-10(3)6-2/h5,9-10H,6-8H2,1-4H3/b9-5-,12-11+
InChIKeyZMKXMRHDHWBQFY-LAYFEWIXSA-N
MW167.30 g/mol
LogP3.81
Rot. Bonds5

About 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine

5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine (PubChem CID 145164688) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine.

Molecular Properties

Compound Name5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine
PubChem CID145164688
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine
SMILESC/C=C\N=C(/C)CCC(C)CC
InChIInChI=1S/C11H21N/c1-5-9-12-11(4)8-7-10(3)6-2/h5,9-10H,6-8H2,1-4H3/b9-5-,12-11+
InChIKeyZMKXMRHDHWBQFY-LAYFEWIXSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine?
The IUPAC name of 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine (CID 145164688) is 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine.
What is the SMILES notation for 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine?
The canonical SMILES for 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine is C/C=C\N=C(/C)CCC(C)CC.
What is the InChIKey of 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine?
The InChIKey is ZMKXMRHDHWBQFY-LAYFEWIXSA-N. The full InChI is InChI=1S/C11H21N/c1-5-9-12-11(4)8-7-10(3)6-2/h5,9-10H,6-8H2,1-4H3/b9-5-,12-11+.
What are the key properties of 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine?
5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(Z)-prop-1-enyl]heptan-2-imine is sourced from PubChem (CID 145164688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).