3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine

C11H21N — CID 88884465

IUPAC3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine
SMILESC/C=C(\N=C(/C)C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-7-11(9(4)5)12-10(6)8(2)3/h7-9H,1-6H3/b11-7-,12-10+
InChIKeyJTBCYQLCHWSAKC-OMCDNRFESA-N
MW167.30 g/mol
LogP3.66
Rot. Bonds3

About 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine

3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine (PubChem CID 88884465) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine
PubChem CID88884465
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine
SMILESC/C=C(\N=C(/C)C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-7-11(9(4)5)12-10(6)8(2)3/h7-9H,1-6H3/b11-7-,12-10+
InChIKeyJTBCYQLCHWSAKC-OMCDNRFESA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine?
The IUPAC name of 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine (CID 88884465) is 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine is C/C=C(\N=C(/C)C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine?
The InChIKey is JTBCYQLCHWSAKC-OMCDNRFESA-N. The full InChI is InChI=1S/C11H21N/c1-7-11(9(4)5)12-10(6)8(2)3/h7-9H,1-6H3/b11-7-,12-10+.
What are the key properties of 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine?
3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine is sourced from PubChem (CID 88884465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).