N,6-dimethylhept-5-en-2-imine

C9H17N — CID 58590796

IUPACN,6-dimethylhept-5-en-2-imine
SMILESC/N=C(\C)CCC=C(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-5-7-9(3)10-4/h6H,5,7H2,1-4H3/b10-9+
InChIKeyXZEYFOHWHPSVHI-MDZDMXLPSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds3

About N,6-dimethylhept-5-en-2-imine

N,6-dimethylhept-5-en-2-imine (PubChem CID 58590796) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,6-dimethylhept-5-en-2-imine.

Molecular Properties

Compound NameN,6-dimethylhept-5-en-2-imine
PubChem CID58590796
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,6-dimethylhept-5-en-2-imine
SMILESC/N=C(\C)CCC=C(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-5-7-9(3)10-4/h6H,5,7H2,1-4H3/b10-9+
InChIKeyXZEYFOHWHPSVHI-MDZDMXLPSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
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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Related Compounds

(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202
(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
CID 153384496
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
CID 178040100
N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine
CID 88744891
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
2-fluoro-N,5-dimethylhex-4-en-3-imine
CID 172586095
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
N-(4-methylpent-3-enyl)propan-2-imine
CID 20677101

Frequently Asked Questions

What is the IUPAC name of N,6-dimethylhept-5-en-2-imine?
The IUPAC name of N,6-dimethylhept-5-en-2-imine (CID 58590796) is N,6-dimethylhept-5-en-2-imine.
What is the SMILES notation for N,6-dimethylhept-5-en-2-imine?
The canonical SMILES for N,6-dimethylhept-5-en-2-imine is C/N=C(\C)CCC=C(C)C.
What is the InChIKey of N,6-dimethylhept-5-en-2-imine?
The InChIKey is XZEYFOHWHPSVHI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-5-7-9(3)10-4/h6H,5,7H2,1-4H3/b10-9+.
What are the key properties of N,6-dimethylhept-5-en-2-imine?
N,6-dimethylhept-5-en-2-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylhept-5-en-2-imine is sourced from PubChem (CID 58590796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).