N,5-dimethylhept-4-en-3-imine

C9H17N — CID 123443398

IUPACN,5-dimethylhept-4-en-3-imine
SMILESCCC(C)=C/C(CC)=N/C
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h7H,5-6H2,1-4H3/b8-7?,10-9+
InChIKeyNZMWXNPZFZLPKA-IPBYNONMSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds3

About N,5-dimethylhept-4-en-3-imine

N,5-dimethylhept-4-en-3-imine (PubChem CID 123443398) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,5-dimethylhept-4-en-3-imine.

Molecular Properties

Compound NameN,5-dimethylhept-4-en-3-imine
PubChem CID123443398
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,5-dimethylhept-4-en-3-imine
SMILESCCC(C)=C/C(CC)=N/C
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h7H,5-6H2,1-4H3/b8-7?,10-9+
InChIKeyNZMWXNPZFZLPKA-IPBYNONMSA-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'}

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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
(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
CID 142523799
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929
ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine
CID 176921366
butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
CID 178040100
butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 178040622
t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylhept-4-en-3-imine?
The IUPAC name of N,5-dimethylhept-4-en-3-imine (CID 123443398) is N,5-dimethylhept-4-en-3-imine.
What is the SMILES notation for N,5-dimethylhept-4-en-3-imine?
The canonical SMILES for N,5-dimethylhept-4-en-3-imine is CCC(C)=C/C(CC)=N/C.
What is the InChIKey of N,5-dimethylhept-4-en-3-imine?
The InChIKey is NZMWXNPZFZLPKA-IPBYNONMSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h7H,5-6H2,1-4H3/b8-7?,10-9+.
What are the key properties of N,5-dimethylhept-4-en-3-imine?
N,5-dimethylhept-4-en-3-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,5-dimethylhept-4-en-3-imine is sourced from PubChem (CID 123443398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).