(E)-3,6-dimethylnon-5-en-4-imine

C11H21N — CID 123151672

IUPAC(E)-3,6-dimethylnon-5-en-4-imine
SMILES[H]/N=C(/C=C(\C)CCC)C(C)CC
InChIInChI=1S/C11H21N/c1-5-7-9(3)8-11(12)10(4)6-2/h8,10,12H,5-7H2,1-4H3/b9-8+,12-11-
InChIKeyWOKVSJBTYLQXNB-UPDVNHGHSA-N
MW167.30 g/mol
LogP3.80
Rot. Bonds5

About (E)-3,6-dimethylnon-5-en-4-imine

(E)-3,6-dimethylnon-5-en-4-imine (PubChem CID 123151672) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-3,6-dimethylnon-5-en-4-imine.

Molecular Properties

Compound Name(E)-3,6-dimethylnon-5-en-4-imine
PubChem CID123151672
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-3,6-dimethylnon-5-en-4-imine
SMILES[H]/N=C(/C=C(\C)CCC)C(C)CC
InChIInChI=1S/C11H21N/c1-5-7-9(3)8-11(12)10(4)6-2/h8,10,12H,5-7H2,1-4H3/b9-8+,12-11-
InChIKeyWOKVSJBTYLQXNB-UPDVNHGHSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine
CID 88555340
1-(4-Ethylcyclohexa-2,4-dien-1-yl)ethanimine
CID 88946462
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332
4-(2-Ethylbut-1-enyl)cyclohexan-1-imine
CID 89040033
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109

Frequently Asked Questions

What is the IUPAC name of (E)-3,6-dimethylnon-5-en-4-imine?
The IUPAC name of (E)-3,6-dimethylnon-5-en-4-imine (CID 123151672) is (E)-3,6-dimethylnon-5-en-4-imine.
What is the SMILES notation for (E)-3,6-dimethylnon-5-en-4-imine?
The canonical SMILES for (E)-3,6-dimethylnon-5-en-4-imine is [H]/N=C(/C=C(\C)CCC)C(C)CC.
What is the InChIKey of (E)-3,6-dimethylnon-5-en-4-imine?
The InChIKey is WOKVSJBTYLQXNB-UPDVNHGHSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-9(3)8-11(12)10(4)6-2/h8,10,12H,5-7H2,1-4H3/b9-8+,12-11-.
What are the key properties of (E)-3,6-dimethylnon-5-en-4-imine?
(E)-3,6-dimethylnon-5-en-4-imine has a molecular weight of 167.30 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,6-dimethylnon-5-en-4-imine is sourced from PubChem (CID 123151672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).