6-methylhepta-4,6-dien-1-imine

C8H13N — CID 123768146

IUPAC6-methylhepta-4,6-dien-1-imine
SMILES[H]/N=C/CCC=CC(=C)C
InChIInChI=1S/C8H13N/c1-8(2)6-4-3-5-7-9/h4,6-7,9H,1,3,5H2,2H3/b6-4?,9-7+
InChIKeyDMKOOFZYCQQKLR-QBFAWUHBSA-N
MW123.20 g/mol
LogP2.55
Rot. Bonds4

About 6-methylhepta-4,6-dien-1-imine

6-methylhepta-4,6-dien-1-imine (PubChem CID 123768146) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-methylhepta-4,6-dien-1-imine.

Molecular Properties

Compound Name6-methylhepta-4,6-dien-1-imine
PubChem CID123768146
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-methylhepta-4,6-dien-1-imine
SMILES[H]/N=C/CCC=CC(=C)C
InChIInChI=1S/C8H13N/c1-8(2)6-4-3-5-7-9/h4,6-7,9H,1,3,5H2,2H3/b6-4?,9-7+
InChIKeyDMKOOFZYCQQKLR-QBFAWUHBSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
deca-4,7-dien-1-imine
CID 123827907
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
5-ethenyl-6-methylnona-4,6-dien-1-imine
CID 123911994
(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
CID 143275541
2-methylundeca-1,3,6,10-tetraene
CID 123646440
acetic acid;(3Z)-2-methylhepta-1,3-diene;propane
CID 145349004
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
N-tert-butyl-5-methylhexa-3,5-dien-1-amine
CID 79597878
hex-5-en-1-imine
CID 57150072
(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-imine
CID 134417522

Frequently Asked Questions

What is the IUPAC name of 6-methylhepta-4,6-dien-1-imine?
The IUPAC name of 6-methylhepta-4,6-dien-1-imine (CID 123768146) is 6-methylhepta-4,6-dien-1-imine.
What is the SMILES notation for 6-methylhepta-4,6-dien-1-imine?
The canonical SMILES for 6-methylhepta-4,6-dien-1-imine is [H]/N=C/CCC=CC(=C)C.
What is the InChIKey of 6-methylhepta-4,6-dien-1-imine?
The InChIKey is DMKOOFZYCQQKLR-QBFAWUHBSA-N. The full InChI is InChI=1S/C8H13N/c1-8(2)6-4-3-5-7-9/h4,6-7,9H,1,3,5H2,2H3/b6-4?,9-7+.
What are the key properties of 6-methylhepta-4,6-dien-1-imine?
6-methylhepta-4,6-dien-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhepta-4,6-dien-1-imine is sourced from PubChem (CID 123768146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).