4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine

C11H23N — CID 58970409

IUPAC4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
SMILESC=C(C)CNC(C)CC(C)(C)C
InChIInChI=1S/C11H23N/c1-9(2)8-12-10(3)7-11(4,5)6/h10,12H,1,7-8H2,2-6H3
InChIKeyCBRQUATWGATSEC-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds4

About 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine

4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine (PubChem CID 58970409) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
PubChem CID58970409
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
SMILESC=C(C)CNC(C)CC(C)(C)C
InChIInChI=1S/C11H23N/c1-9(2)8-12-10(3)7-11(4,5)6/h10,12H,1,7-8H2,2-6H3
InChIKeyCBRQUATWGATSEC-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine 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 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The IUPAC name of 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine (CID 58970409) is 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine is C=C(C)CNC(C)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The InChIKey is CBRQUATWGATSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)8-12-10(3)7-11(4,5)6/h10,12H,1,7-8H2,2-6H3.
What are the key properties of 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine?
4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine is sourced from PubChem (CID 58970409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).