(5Z)-N,3-dimethylhepta-2,5-dien-4-imine

C9H15N — CID 123251903

IUPAC(5Z)-N,3-dimethylhepta-2,5-dien-4-imine
SMILESCC=C(C)C(/C=C\C)=N\C
InChIInChI=1S/C9H15N/c1-5-7-9(10-4)8(3)6-2/h5-7H,1-4H3/b7-5-,8-6?,10-9-
InChIKeyHGRLVFSUWOLNDY-FPSYPHLVSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds2

About (5Z)-N,3-dimethylhepta-2,5-dien-4-imine

(5Z)-N,3-dimethylhepta-2,5-dien-4-imine (PubChem CID 123251903) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (5Z)-N,3-dimethylhepta-2,5-dien-4-imine.

Molecular Properties

Compound Name(5Z)-N,3-dimethylhepta-2,5-dien-4-imine
PubChem CID123251903
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(5Z)-N,3-dimethylhepta-2,5-dien-4-imine
SMILESCC=C(C)C(/C=C\C)=N\C
InChIInChI=1S/C9H15N/c1-5-7-9(10-4)8(3)6-2/h5-7H,1-4H3/b7-5-,8-6?,10-9-
InChIKeyHGRLVFSUWOLNDY-FPSYPHLVSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
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

6-Ethyl-2,3-dihydropyridine
CID 58693567
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
CID 142448631
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
CID 156851749
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444

Frequently Asked Questions

What is the IUPAC name of (5Z)-N,3-dimethylhepta-2,5-dien-4-imine?
The IUPAC name of (5Z)-N,3-dimethylhepta-2,5-dien-4-imine (CID 123251903) is (5Z)-N,3-dimethylhepta-2,5-dien-4-imine.
What is the SMILES notation for (5Z)-N,3-dimethylhepta-2,5-dien-4-imine?
The canonical SMILES for (5Z)-N,3-dimethylhepta-2,5-dien-4-imine is CC=C(C)C(/C=C\C)=N\C.
What is the InChIKey of (5Z)-N,3-dimethylhepta-2,5-dien-4-imine?
The InChIKey is HGRLVFSUWOLNDY-FPSYPHLVSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(10-4)8(3)6-2/h5-7H,1-4H3/b7-5-,8-6?,10-9-.
What are the key properties of (5Z)-N,3-dimethylhepta-2,5-dien-4-imine?
(5Z)-N,3-dimethylhepta-2,5-dien-4-imine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N,3-dimethylhepta-2,5-dien-4-imine is sourced from PubChem (CID 123251903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).