N-(3,3,4-trimethylpent-1-enyl)propan-2-imine

C11H21N — CID 91558342

IUPACN-(3,3,4-trimethylpent-1-enyl)propan-2-imine
SMILESCC(C)=NC=CC(C)(C)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)11(5,6)7-8-12-10(3)4/h7-9H,1-6H3
InChIKeyBMWYXHCNHQEWKV-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.66
Rot. Bonds3

About N-(3,3,4-trimethylpent-1-enyl)propan-2-imine

N-(3,3,4-trimethylpent-1-enyl)propan-2-imine (PubChem CID 91558342) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(3,3,4-trimethylpent-1-enyl)propan-2-imine.

Molecular Properties

Compound NameN-(3,3,4-trimethylpent-1-enyl)propan-2-imine
PubChem CID91558342
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(3,3,4-trimethylpent-1-enyl)propan-2-imine
SMILESCC(C)=NC=CC(C)(C)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)11(5,6)7-8-12-10(3)4/h7-9H,1-6H3
InChIKeyBMWYXHCNHQEWKV-UHFFFAOYSA-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'}

Analyze N-(3,3,4-trimethylpent-1-enyl)propan-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

Frequently Asked Questions

What is the IUPAC name of N-(3,3,4-trimethylpent-1-enyl)propan-2-imine?
The IUPAC name of N-(3,3,4-trimethylpent-1-enyl)propan-2-imine (CID 91558342) is N-(3,3,4-trimethylpent-1-enyl)propan-2-imine.
What is the SMILES notation for N-(3,3,4-trimethylpent-1-enyl)propan-2-imine?
The canonical SMILES for N-(3,3,4-trimethylpent-1-enyl)propan-2-imine is CC(C)=NC=CC(C)(C)C(C)C.
What is the InChIKey of N-(3,3,4-trimethylpent-1-enyl)propan-2-imine?
The InChIKey is BMWYXHCNHQEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11(5,6)7-8-12-10(3)4/h7-9H,1-6H3.
What are the key properties of N-(3,3,4-trimethylpent-1-enyl)propan-2-imine?
N-(3,3,4-trimethylpent-1-enyl)propan-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 N-(3,3,4-trimethylpent-1-enyl)propan-2-imine is sourced from PubChem (CID 91558342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).