3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine

C11H19N — CID 126661702

IUPAC3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine
SMILESC=C(C)C(=C/C)/N=C(\C)C(C)C
InChIInChI=1S/C11H19N/c1-7-11(9(4)5)12-10(6)8(2)3/h7-8H,4H2,1-3,5-6H3/b11-7-,12-10+
InChIKeyDBWYDUMEQYXCKV-OMCDNRFESA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds3

About 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine

3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine (PubChem CID 126661702) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine
PubChem CID126661702
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine
SMILESC=C(C)C(=C/C)/N=C(\C)C(C)C
InChIInChI=1S/C11H19N/c1-7-11(9(4)5)12-10(6)8(2)3/h7-8H,4H2,1-3,5-6H3/b11-7-,12-10+
InChIKeyDBWYDUMEQYXCKV-OMCDNRFESA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine?
The IUPAC name of 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine (CID 126661702) is 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine is C=C(C)C(=C/C)/N=C(\C)C(C)C.
What is the InChIKey of 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine?
The InChIKey is DBWYDUMEQYXCKV-OMCDNRFESA-N. The full InChI is InChI=1S/C11H19N/c1-7-11(9(4)5)12-10(6)8(2)3/h7-8H,4H2,1-3,5-6H3/b11-7-,12-10+.
What are the key properties of 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine?
3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine is sourced from PubChem (CID 126661702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).