3-methyl-N-(3-methylpent-2-enyl)butan-2-imine

C11H21N — CID 123964314

IUPAC3-methyl-N-(3-methylpent-2-enyl)butan-2-imine
SMILESCCC(C)=CC/N=C(\C)C(C)C
InChIInChI=1S/C11H21N/c1-6-10(4)7-8-12-11(5)9(2)3/h7,9H,6,8H2,1-5H3/b10-7?,12-11+
InChIKeyPJPSRJKEUCAHAP-IDWDULOPSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds4

About 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine

3-methyl-N-(3-methylpent-2-enyl)butan-2-imine (PubChem CID 123964314) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-(3-methylpent-2-enyl)butan-2-imine
PubChem CID123964314
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-methyl-N-(3-methylpent-2-enyl)butan-2-imine
SMILESCCC(C)=CC/N=C(\C)C(C)C
InChIInChI=1S/C11H21N/c1-6-10(4)7-8-12-11(5)9(2)3/h7,9H,6,8H2,1-5H3/b10-7?,12-11+
InChIKeyPJPSRJKEUCAHAP-IDWDULOPSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
N-(4-methylpent-3-enyl)propan-2-imine
CID 20677101
4,5-dimethyl-2H-pyrrole
CID 21353924
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
4-methyl-5-propan-2-yl-2H-pyrrole
CID 58318552
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716
3-methyl-5-propan-2-yl-2H-pyrrole
CID 58431822
N,6-dimethylhept-5-en-2-imine
CID 58590796
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine?
The IUPAC name of 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine (CID 123964314) is 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine.
What is the SMILES notation for 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine?
The canonical SMILES for 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine is CCC(C)=CC/N=C(\C)C(C)C.
What is the InChIKey of 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine?
The InChIKey is PJPSRJKEUCAHAP-IDWDULOPSA-N. The full InChI is InChI=1S/C11H21N/c1-6-10(4)7-8-12-11(5)9(2)3/h7,9H,6,8H2,1-5H3/b10-7?,12-11+.
What are the key properties of 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine?
3-methyl-N-(3-methylpent-2-enyl)butan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylpent-2-enyl)butan-2-imine is sourced from PubChem (CID 123964314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).