6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine

C11H21N — CID 154977343

IUPAC6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine
SMILESC/C=C\N=C(/CC)CCC(C)C
InChIInChI=1S/C11H21N/c1-5-9-12-11(6-2)8-7-10(3)4/h5,9-10H,6-8H2,1-4H3/b9-5-,12-11+
InChIKeyTXFIACIBHMUQHL-LAYFEWIXSA-N
MW167.30 g/mol
LogP3.81
Rot. Bonds5

About 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine

6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine (PubChem CID 154977343) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine.

Molecular Properties

Compound Name6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine
PubChem CID154977343
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine
SMILESC/C=C\N=C(/CC)CCC(C)C
InChIInChI=1S/C11H21N/c1-5-9-12-11(6-2)8-7-10(3)4/h5,9-10H,6-8H2,1-4H3/b9-5-,12-11+
InChIKeyTXFIACIBHMUQHL-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

2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
N-[(1E)-2-fluorobuta-1,3-dienyl]-7-methyl-4-propylnonan-3-imine
CID 177980100
4-methyl-N-prop-2-enylheptan-3-imine
CID 23566326
(4S)-4-methyl-N-prop-2-enylheptan-3-imine
CID 59040090
N-[(Z)-prop-1-enyl]decan-2-imine
CID 88937235
1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine
CID 88966079
N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine
CID 89200155
3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 89688931
2-methyl-N-[(Z)-prop-1-enyl]hexan-3-imine
CID 126516666
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
5,5-dimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine
CID 129167038
N-[(1Z)-buta-1,3-dienyl]-3-methylpentan-2-imine
CID 130238948

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine?
The IUPAC name of 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine (CID 154977343) is 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine.
What is the SMILES notation for 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine?
The canonical SMILES for 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine is C/C=C\N=C(/CC)CCC(C)C.
What is the InChIKey of 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine?
The InChIKey is TXFIACIBHMUQHL-LAYFEWIXSA-N. The full InChI is InChI=1S/C11H21N/c1-5-9-12-11(6-2)8-7-10(3)4/h5,9-10H,6-8H2,1-4H3/b9-5-,12-11+.
What are the key properties of 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine?
6-methyl-N-[(Z)-prop-1-enyl]heptan-3-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 6-methyl-N-[(Z)-prop-1-enyl]heptan-3-imine is sourced from PubChem (CID 154977343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).