4-methyl-2,3-dimethylidenehexan-1-imine

C9H15N — CID 170635680

IUPAC4-methyl-2,3-dimethylidenehexan-1-imine
SMILES[H]/N=C/C(=C)C(=C)C(C)CC
InChIInChI=1S/C9H15N/c1-5-7(2)9(4)8(3)6-10/h6-7,10H,3-5H2,1-2H3/b10-6+
InChIKeyXJDMEJKDAUHJFT-UXBLZVDNSA-N
MW137.23 g/mol
LogP2.79
Rot. Bonds4

About 4-methyl-2,3-dimethylidenehexan-1-imine

4-methyl-2,3-dimethylidenehexan-1-imine (PubChem CID 170635680) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-2,3-dimethylidenehexan-1-imine.

Molecular Properties

Compound Name4-methyl-2,3-dimethylidenehexan-1-imine
PubChem CID170635680
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-2,3-dimethylidenehexan-1-imine
SMILES[H]/N=C/C(=C)C(=C)C(C)CC
InChIInChI=1S/C9H15N/c1-5-7(2)9(4)8(3)6-10/h6-7,10H,3-5H2,1-2H3/b10-6+
InChIKeyXJDMEJKDAUHJFT-UXBLZVDNSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylpentane-1,2-diimine
CID 139890655
(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine
CID 147081796
(3S)-3-methyl-2-methylidenepentanoic acid
CID 55303655
(3R)-3-methylpent-1-en-2-ol
CID 89203555
(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine
CID 142878696
6-methyl-5-methylideneoctan-2-imine
CID 123962275
(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine
CID 135278571
(3R)-5-imino-3-methylpent-1-en-2-ol
CID 152818333
2,3-dimethylpent-1-ene;ethane
CID 143286891
2,4-dimethyl-3-methylidenehexane
CID 90734956
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(4,4,4-trifluoro-2-methylbutyl) 2-methanimidoylprop-2-enoate
CID 170018740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dimethylidenehexan-1-imine?
The IUPAC name of 4-methyl-2,3-dimethylidenehexan-1-imine (CID 170635680) is 4-methyl-2,3-dimethylidenehexan-1-imine.
What is the SMILES notation for 4-methyl-2,3-dimethylidenehexan-1-imine?
The canonical SMILES for 4-methyl-2,3-dimethylidenehexan-1-imine is [H]/N=C/C(=C)C(=C)C(C)CC.
What is the InChIKey of 4-methyl-2,3-dimethylidenehexan-1-imine?
The InChIKey is XJDMEJKDAUHJFT-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7(2)9(4)8(3)6-10/h6-7,10H,3-5H2,1-2H3/b10-6+.
What are the key properties of 4-methyl-2,3-dimethylidenehexan-1-imine?
4-methyl-2,3-dimethylidenehexan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dimethylidenehexan-1-imine is sourced from PubChem (CID 170635680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).