(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine

C12H23N — CID 59879255

IUPAC(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine
SMILESCC(=C(\C)C(C)C)/C(C)=N/C(C)C
InChIInChI=1S/C12H23N/c1-8(2)10(5)11(6)12(7)13-9(3)4/h8-9H,1-7H3/b11-10-,13-12+
InChIKeyRUAPGORMBCLQPL-JPYSRSMKSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds3

About (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine

(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine (PubChem CID 59879255) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine
PubChem CID59879255
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine
SMILESCC(=C(\C)C(C)C)/C(C)=N/C(C)C
InChIInChI=1S/C12H23N/c1-8(2)10(5)11(6)12(7)13-9(3)4/h8-9H,1-7H3/b11-10-,13-12+
InChIKeyRUAPGORMBCLQPL-JPYSRSMKSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
2,3,4,5-tetramethyl-2H-pyrrole
CID 18508458
2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
CID 20647016
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
N,3,4-trimethylpent-3-en-2-imine
CID 54299985
carbanide;meitnerium;2,3,4,5-tetramethyl-2H-pyrrole
CID 59085075
N-ethyl-3,4-dimethylpent-3-en-2-imine
CID 59576226
3,5-dimethyl-4-propan-2-yl-2H-pyrrole
CID 59693681
(Z)-N-ethyl-3,4-dimethylhex-3-en-2-imine
CID 59921684
(2R,3R)-2,3,4,5,6-pentamethyl-2,3-dihydropyridine
CID 60123253
(2R,3R)-2,3,4,5,6-pentamethyl-2,3-dihydropyridine;yttrium
CID 60123256

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine?
The IUPAC name of (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine (CID 59879255) is (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine.
What is the SMILES notation for (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine?
The canonical SMILES for (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine is CC(=C(\C)C(C)C)/C(C)=N/C(C)C.
What is the InChIKey of (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine?
The InChIKey is RUAPGORMBCLQPL-JPYSRSMKSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)10(5)11(6)12(7)13-9(3)4/h8-9H,1-7H3/b11-10-,13-12+.
What are the key properties of (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine?
(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine is sourced from PubChem (CID 59879255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).