(E,7S)-N,7-dimethylnon-4-en-1-imine

C11H21N — CID 138508508

IUPAC(E,7S)-N,7-dimethylnon-4-en-1-imine
SMILESCC[C@H](C)C/C=C/CC/C=N/C
InChIInChI=1S/C11H21N/c1-4-11(2)9-7-5-6-8-10-12-3/h5,7,10-11H,4,6,8-9H2,1-3H3/b7-5+,12-10+/t11-/m0/s1
InChIKeyOHZZRFWUTAZRKA-RBIQHZELSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds6

About (E,7S)-N,7-dimethylnon-4-en-1-imine

(E,7S)-N,7-dimethylnon-4-en-1-imine (PubChem CID 138508508) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E,7S)-N,7-dimethylnon-4-en-1-imine.

Molecular Properties

Compound Name(E,7S)-N,7-dimethylnon-4-en-1-imine
PubChem CID138508508
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E,7S)-N,7-dimethylnon-4-en-1-imine
SMILESCC[C@H](C)C/C=C/CC/C=N/C
InChIInChI=1S/C11H21N/c1-4-11(2)9-7-5-6-8-10-12-3/h5,7,10-11H,4,6,8-9H2,1-3H3/b7-5+,12-10+/t11-/m0/s1
InChIKeyOHZZRFWUTAZRKA-RBIQHZELSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E,7S)-N,7-dimethylnon-4-en-1-imine?
The IUPAC name of (E,7S)-N,7-dimethylnon-4-en-1-imine (CID 138508508) is (E,7S)-N,7-dimethylnon-4-en-1-imine.
What is the SMILES notation for (E,7S)-N,7-dimethylnon-4-en-1-imine?
The canonical SMILES for (E,7S)-N,7-dimethylnon-4-en-1-imine is CC[C@H](C)C/C=C/CC/C=N/C.
What is the InChIKey of (E,7S)-N,7-dimethylnon-4-en-1-imine?
The InChIKey is OHZZRFWUTAZRKA-RBIQHZELSA-N. The full InChI is InChI=1S/C11H21N/c1-4-11(2)9-7-5-6-8-10-12-3/h5,7,10-11H,4,6,8-9H2,1-3H3/b7-5+,12-10+/t11-/m0/s1.
What are the key properties of (E,7S)-N,7-dimethylnon-4-en-1-imine?
(E,7S)-N,7-dimethylnon-4-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-N,7-dimethylnon-4-en-1-imine is sourced from PubChem (CID 138508508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).