9-methylundec-9-en-3-imine

C12H23N — CID 90776587

IUPAC9-methylundec-9-en-3-imine
SMILES[H]/N=C(\CC)CCCCCC(C)=CC
InChIInChI=1S/C12H23N/c1-4-11(3)9-7-6-8-10-12(13)5-2/h4,13H,5-10H2,1-3H3/b11-4?,13-12+
InChIKeyAEJOEYHOMPMPSC-MXOHJKKRSA-N
MW181.32 g/mol
LogP4.33
Rot. Bonds7

About 9-methylundec-9-en-3-imine

9-methylundec-9-en-3-imine (PubChem CID 90776587) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 9-methylundec-9-en-3-imine.

Molecular Properties

Compound Name9-methylundec-9-en-3-imine
PubChem CID90776587
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name9-methylundec-9-en-3-imine
SMILES[H]/N=C(\CC)CCCCCC(C)=CC
InChIInChI=1S/C12H23N/c1-4-11(3)9-7-6-8-10-12(13)5-2/h4,13H,5-10H2,1-3H3/b11-4?,13-12+
InChIKeyAEJOEYHOMPMPSC-MXOHJKKRSA-N
XLogP4.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.33
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

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
3-Methyl-2-cyclopentenimine
CID 91232431
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
Ethylcyclopentenimine
CID 149143293
2-Ethylidenecyclohexan-1-imine
CID 14026307
2-Butyl-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 18620279
(2E)-2-ethylidenecyclohexan-1-imine
CID 20159053
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
(2E)-2-propylidenecyclohexan-1-imine
CID 21514603
(4Z)-cyclooct-4-en-1-imine
CID 22357533
2,30-Dimethylhentriaconta-2,29-diene-6,26-diimine
CID 58149349
(4Z)-4-methylcyclooct-4-en-1-imine
CID 59932861

Frequently Asked Questions

What is the IUPAC name of 9-methylundec-9-en-3-imine?
The IUPAC name of 9-methylundec-9-en-3-imine (CID 90776587) is 9-methylundec-9-en-3-imine.
What is the SMILES notation for 9-methylundec-9-en-3-imine?
The canonical SMILES for 9-methylundec-9-en-3-imine is [H]/N=C(\CC)CCCCCC(C)=CC.
What is the InChIKey of 9-methylundec-9-en-3-imine?
The InChIKey is AEJOEYHOMPMPSC-MXOHJKKRSA-N. The full InChI is InChI=1S/C12H23N/c1-4-11(3)9-7-6-8-10-12(13)5-2/h4,13H,5-10H2,1-3H3/b11-4?,13-12+.
What are the key properties of 9-methylundec-9-en-3-imine?
9-methylundec-9-en-3-imine has a molecular weight of 181.32 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylundec-9-en-3-imine is sourced from PubChem (CID 90776587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).