3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine

C12H23N — CID 123213513

IUPAC3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine
SMILESCCC(C)=CC(C)/N=C(\C)C(C)C
InChIInChI=1S/C12H23N/c1-7-10(4)8-11(5)13-12(6)9(2)3/h8-9,11H,7H2,1-6H3/b10-8?,13-12+
InChIKeyKRRRPOXMVOFVCB-VMJKLYIWSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds4

About 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine

3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine (PubChem CID 123213513) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine
PubChem CID123213513
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine
SMILESCCC(C)=CC(C)/N=C(\C)C(C)C
InChIInChI=1S/C12H23N/c1-7-10(4)8-11(5)13-12(6)9(2)3/h8-9,11H,7H2,1-6H3/b10-8?,13-12+
InChIKeyKRRRPOXMVOFVCB-VMJKLYIWSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-methyl-N-propan-2-ylpent-3-en-2-imine
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N-(4-methylpent-3-enyl)propan-2-imine
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2,3,5-tri(propan-2-yl)-2H-pyrrole
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4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716
3-methyl-5-propan-2-yl-2H-pyrrole
CID 58431822
3,5-di(propan-2-yl)-2H-pyrrole
CID 59519975
(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine
CID 59879255
5-methyl-3-propan-2-yl-2H-pyrrole
CID 60081031
2,3-dimethyl-5-propan-2-yl-2H-pyrrole
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CID 68404431

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine?
The IUPAC name of 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine (CID 123213513) is 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine.
What is the SMILES notation for 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine?
The canonical SMILES for 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine is CCC(C)=CC(C)/N=C(\C)C(C)C.
What is the InChIKey of 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine?
The InChIKey is KRRRPOXMVOFVCB-VMJKLYIWSA-N. The full InChI is InChI=1S/C12H23N/c1-7-10(4)8-11(5)13-12(6)9(2)3/h8-9,11H,7H2,1-6H3/b10-8?,13-12+.
What are the key properties of 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine?
3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine is sourced from PubChem (CID 123213513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).