N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine

C12H23N — CID 59879256

IUPACN-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine
SMILESCC(/N=C(\C)C(C)C)=C(\C)C(C)C
InChIInChI=1S/C12H23N/c1-8(2)10(5)12(7)13-11(6)9(3)4/h8-9H,1-7H3/b12-10-,13-11+
InChIKeyZIOIQGKWARZFHB-PJABCKPXSA-N
MW181.32 g/mol
LogP4.05
Rot. Bonds3

About N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine

N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine (PubChem CID 59879256) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine
PubChem CID59879256
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine
SMILESCC(/N=C(\C)C(C)C)=C(\C)C(C)C
InChIInChI=1S/C12H23N/c1-8(2)10(5)12(7)13-11(6)9(3)4/h8-9H,1-7H3/b12-10-,13-11+
InChIKeyZIOIQGKWARZFHB-PJABCKPXSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-cyclopropyl-1-fluorobut-2-en-2-yl]-3-methylbutan-2-imine
CID 144082967
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole
CID 59085074
2,4-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68249327
4-methyl-2,5-di(propan-2-yl)-3H-pyrrole
CID 68404428
3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
CID 88274729
3-methyl-N-(2-methylcyclopenten-1-yl)butan-2-imine
CID 88587992
3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine
CID 88884465
2,4-dimethyl-5-(3-methylbutan-2-yl)-3H-pyrrole
CID 90261875
3-methyl-N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 91177005

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine?
The IUPAC name of N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine (CID 59879256) is N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine.
What is the SMILES notation for N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine?
The canonical SMILES for N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine is CC(/N=C(\C)C(C)C)=C(\C)C(C)C.
What is the InChIKey of N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine?
The InChIKey is ZIOIQGKWARZFHB-PJABCKPXSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)10(5)12(7)13-11(6)9(3)4/h8-9H,1-7H3/b12-10-,13-11+.
What are the key properties of N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine?
N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine is sourced from PubChem (CID 59879256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).