8-methylnona-1,7-dien-3-imine

C10H17N — CID 123180177

IUPAC8-methylnona-1,7-dien-3-imine
SMILES[H]/N=C(\C=C)CCCC=C(C)C
InChIInChI=1S/C10H17N/c1-4-10(11)8-6-5-7-9(2)3/h4,7,11H,1,5-6,8H2,2-3H3/b11-10+
InChIKeyWACNGGAQRJPGKU-ZHACJKMWSA-N
MW151.25 g/mol
LogP3.33
Rot. Bonds5

About 8-methylnona-1,7-dien-3-imine

8-methylnona-1,7-dien-3-imine (PubChem CID 123180177) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 8-methylnona-1,7-dien-3-imine.

Molecular Properties

Compound Name8-methylnona-1,7-dien-3-imine
PubChem CID123180177
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name8-methylnona-1,7-dien-3-imine
SMILES[H]/N=C(\C=C)CCCC=C(C)C
InChIInChI=1S/C10H17N/c1-4-10(11)8-6-5-7-9(2)3/h4,7,11H,1,5-6,8H2,2-3H3/b11-10+
InChIKeyWACNGGAQRJPGKU-ZHACJKMWSA-N
XLogP3.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.33
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexenimine
CID 18766735
6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
3-Methyl-2-cyclopentenimine
CID 91232431
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
(3E,5Z)-3-ethylidene-5-[(E)-1-fluoroprop-1-enyl]octa-1,5,7-trien-4-imine
CID 132066393
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine
CID 174316429
1,3-Diimino[14]annulene
CID 129746955
Cyclohex-2-en-1-ylideneazanium
CID 135014091
Ethylcyclopentenimine
CID 149143293

Frequently Asked Questions

What is the IUPAC name of 8-methylnona-1,7-dien-3-imine?
The IUPAC name of 8-methylnona-1,7-dien-3-imine (CID 123180177) is 8-methylnona-1,7-dien-3-imine.
What is the SMILES notation for 8-methylnona-1,7-dien-3-imine?
The canonical SMILES for 8-methylnona-1,7-dien-3-imine is [H]/N=C(\C=C)CCCC=C(C)C.
What is the InChIKey of 8-methylnona-1,7-dien-3-imine?
The InChIKey is WACNGGAQRJPGKU-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(11)8-6-5-7-9(2)3/h4,7,11H,1,5-6,8H2,2-3H3/b11-10+.
What are the key properties of 8-methylnona-1,7-dien-3-imine?
8-methylnona-1,7-dien-3-imine has a molecular weight of 151.25 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnona-1,7-dien-3-imine is sourced from PubChem (CID 123180177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).