(Z)-N,5-dimethylhept-3-en-2-imine

C9H17N — CID 91525270

IUPAC(Z)-N,5-dimethylhept-3-en-2-imine
SMILESCCC(C)/C=C\C(C)=N\C
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h6-8H,5H2,1-4H3/b7-6-,10-9+
InChIKeyNJZOLDTWSCLOQC-IXWMQOLASA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds3

About (Z)-N,5-dimethylhept-3-en-2-imine

(Z)-N,5-dimethylhept-3-en-2-imine (PubChem CID 91525270) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (Z)-N,5-dimethylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N,5-dimethylhept-3-en-2-imine
PubChem CID91525270
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(Z)-N,5-dimethylhept-3-en-2-imine
SMILESCCC(C)/C=C\C(C)=N\C
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h6-8H,5H2,1-4H3/b7-6-,10-9+
InChIKeyNJZOLDTWSCLOQC-IXWMQOLASA-N
XLogP2.68
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 ≤ 52.68
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

(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
CID 142523799
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine
CID 167146607
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole
CID 134890969
3-Fluoro-6-propan-2-yl-2,3-dihydropyridine
CID 144060413
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
(Z)-N,4-dimethylhex-2-enimidoyl fluoride
CID 155728645
5-propan-2-yl-2H-pyrrole
CID 18736790
(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine
CID 59049750
5-methyl-2-propan-2-yl-2H-pyrrole
CID 59151241

Frequently Asked Questions

What is the IUPAC name of (Z)-N,5-dimethylhept-3-en-2-imine?
The IUPAC name of (Z)-N,5-dimethylhept-3-en-2-imine (CID 91525270) is (Z)-N,5-dimethylhept-3-en-2-imine.
What is the SMILES notation for (Z)-N,5-dimethylhept-3-en-2-imine?
The canonical SMILES for (Z)-N,5-dimethylhept-3-en-2-imine is CCC(C)/C=C\C(C)=N\C.
What is the InChIKey of (Z)-N,5-dimethylhept-3-en-2-imine?
The InChIKey is NJZOLDTWSCLOQC-IXWMQOLASA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h6-8H,5H2,1-4H3/b7-6-,10-9+.
What are the key properties of (Z)-N,5-dimethylhept-3-en-2-imine?
(Z)-N,5-dimethylhept-3-en-2-imine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,5-dimethylhept-3-en-2-imine is sourced from PubChem (CID 91525270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).