5-ethenyl-6-methylnona-4,6-dien-1-imine

C12H19N — CID 123911994

IUPAC5-ethenyl-6-methylnona-4,6-dien-1-imine
SMILES[H]/N=C/CCC=C(C=C)C(C)=CCC
InChIInChI=1S/C12H19N/c1-4-8-11(3)12(5-2)9-6-7-10-13/h5,8-10,13H,2,4,6-7H2,1,3H3/b11-8?,12-9?,13-10+
InChIKeyUMUAVHJKRFUMRN-AUHDGBGTSA-N
MW177.29 g/mol
LogP3.88
Rot. Bonds6

About 5-ethenyl-6-methylnona-4,6-dien-1-imine

5-ethenyl-6-methylnona-4,6-dien-1-imine (PubChem CID 123911994) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-ethenyl-6-methylnona-4,6-dien-1-imine.

Molecular Properties

Compound Name5-ethenyl-6-methylnona-4,6-dien-1-imine
PubChem CID123911994
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-ethenyl-6-methylnona-4,6-dien-1-imine
SMILES[H]/N=C/CCC=C(C=C)C(C)=CCC
InChIInChI=1S/C12H19N/c1-4-8-11(3)12(5-2)9-6-7-10-13/h5,8-10,13H,2,4,6-7H2,1,3H3/b11-8?,12-9?,13-10+
InChIKeyUMUAVHJKRFUMRN-AUHDGBGTSA-N
XLogP3.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.88
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,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
6-methylhepta-4,6-dien-1-imine
CID 123768146
butan-1-imine;prop-2-enamide
CID 175251221
hex-5-en-1-imine
CID 57150072
(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
CID 145153838
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
3-iminopropyl prop-2-enoate
CID 152689753
(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-imine
CID 134417522
(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane
CID 143747479
deca-4,7-dien-1-imine
CID 123827907
5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
CID 173423992
6-methylnon-5-en-1-imine
CID 90789693

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methylnona-4,6-dien-1-imine?
The IUPAC name of 5-ethenyl-6-methylnona-4,6-dien-1-imine (CID 123911994) is 5-ethenyl-6-methylnona-4,6-dien-1-imine.
What is the SMILES notation for 5-ethenyl-6-methylnona-4,6-dien-1-imine?
The canonical SMILES for 5-ethenyl-6-methylnona-4,6-dien-1-imine is [H]/N=C/CCC=C(C=C)C(C)=CCC.
What is the InChIKey of 5-ethenyl-6-methylnona-4,6-dien-1-imine?
The InChIKey is UMUAVHJKRFUMRN-AUHDGBGTSA-N. The full InChI is InChI=1S/C12H19N/c1-4-8-11(3)12(5-2)9-6-7-10-13/h5,8-10,13H,2,4,6-7H2,1,3H3/b11-8?,12-9?,13-10+.
What are the key properties of 5-ethenyl-6-methylnona-4,6-dien-1-imine?
5-ethenyl-6-methylnona-4,6-dien-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methylnona-4,6-dien-1-imine is sourced from PubChem (CID 123911994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).