N,6-dimethylhept-4-en-1-yn-3-imine

C9H13N — CID 123838909

IUPACN,6-dimethylhept-4-en-1-yn-3-imine
SMILESC#C/C(C=CC(C)C)=N\C
InChIInChI=1S/C9H13N/c1-5-9(10-4)7-6-8(2)3/h1,6-8H,2-4H3/b7-6?,10-9+
InChIKeyJYNGMOPFKROGRC-VGAVRCOMSA-N
MW135.21 g/mol
LogP1.90
Rot. Bonds2

About N,6-dimethylhept-4-en-1-yn-3-imine

N,6-dimethylhept-4-en-1-yn-3-imine (PubChem CID 123838909) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N,6-dimethylhept-4-en-1-yn-3-imine.

Molecular Properties

Compound NameN,6-dimethylhept-4-en-1-yn-3-imine
PubChem CID123838909
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN,6-dimethylhept-4-en-1-yn-3-imine
SMILESC#C/C(C=CC(C)C)=N\C
InChIInChI=1S/C9H13N/c1-5-9(10-4)7-6-8(2)3/h1,6-8H,2-4H3/b7-6?,10-9+
InChIKeyJYNGMOPFKROGRC-VGAVRCOMSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-Prop-1-ynyl-2,3-dihydropyridine
CID 89208641
(Z)-N-ethyl-5-methylhex-3-en-2-imine
CID 90713903
(E)-N,4-dimethylhex-3-en-5-yn-2-imine
CID 91053481
(Z)-N,5-dimethylhex-3-en-2-imine
CID 91209243
6-Ethynyl-2-methyl-2,3-dihydropyridine
CID 122666715
5-Methylhex-3-en-2-ylidene(methylidene)azanium
CID 123144784
N-methylhex-4-en-1-yn-3-imine
CID 123279994
3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine
CID 123701711
(4Z)-6-methylnona-4,7-dien-1-yn-3-imine
CID 123759448
(Z)-5-methylhept-3-en-6-yn-2-imine
CID 123913341
(4E)-N,5-dimethylhepta-1,4-dien-3-imine
CID 132023797
(3E)-N,8-dimethyl-5-prop-2-ynylnona-3,5,6-trien-2-imine
CID 135278105

Frequently Asked Questions

What is the IUPAC name of N,6-dimethylhept-4-en-1-yn-3-imine?
The IUPAC name of N,6-dimethylhept-4-en-1-yn-3-imine (CID 123838909) is N,6-dimethylhept-4-en-1-yn-3-imine.
What is the SMILES notation for N,6-dimethylhept-4-en-1-yn-3-imine?
The canonical SMILES for N,6-dimethylhept-4-en-1-yn-3-imine is C#C/C(C=CC(C)C)=N\C.
What is the InChIKey of N,6-dimethylhept-4-en-1-yn-3-imine?
The InChIKey is JYNGMOPFKROGRC-VGAVRCOMSA-N. The full InChI is InChI=1S/C9H13N/c1-5-9(10-4)7-6-8(2)3/h1,6-8H,2-4H3/b7-6?,10-9+.
What are the key properties of N,6-dimethylhept-4-en-1-yn-3-imine?
N,6-dimethylhept-4-en-1-yn-3-imine has a molecular weight of 135.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylhept-4-en-1-yn-3-imine is sourced from PubChem (CID 123838909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).