2,4,4-trimethyl-N-prop-2-enylpentan-2-amine

C11H23N — CID 60976634

IUPAC2,4,4-trimethyl-N-prop-2-enylpentan-2-amine
SMILESC=CCNC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H23N/c1-7-8-12-11(5,6)9-10(2,3)4/h7,12H,1,8-9H2,2-6H3
InChIKeyUSKZMJVRAFDVJK-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds4

About 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine

2,4,4-trimethyl-N-prop-2-enylpentan-2-amine (PubChem CID 60976634) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-prop-2-enylpentan-2-amine
PubChem CID60976634
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,4,4-trimethyl-N-prop-2-enylpentan-2-amine
SMILESC=CCNC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H23N/c1-7-8-12-11(5,6)9-10(2,3)4/h7,12H,1,8-9H2,2-6H3
InChIKeyUSKZMJVRAFDVJK-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 2,4,4-trimethyl-N-prop-2-enylpentan-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

Related Compounds

N-prop-2-enyl-4-propylheptan-4-amine
CID 12383919
N-prop-2-enyl-4-propylheptan-4-amine;hydrochloride
CID 12383920
2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 18710926
2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine
CID 18710932
N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine
CID 20806809
3,3-dimethyl-N-prop-2-enylbutan-1-amine
CID 21304882
4-methyl-N-prop-2-enylpentan-2-amine
CID 43189556
2-methyl-N-prop-2-enylpentan-1-amine
CID 43200529
2-methyl-N-prop-2-enylheptan-2-amine
CID 54286315
4,4-Dimethylpentyl-methyl-prop-2-enylazanium
CID 58300792
4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 58970409
4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-1-amine
CID 60061020

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine (CID 60976634) is 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine is C=CCNC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine?
The InChIKey is USKZMJVRAFDVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-8-12-11(5,6)9-10(2,3)4/h7,12H,1,8-9H2,2-6H3.
What are the key properties of 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine?
2,4,4-trimethyl-N-prop-2-enylpentan-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 2,4,4-trimethyl-N-prop-2-enylpentan-2-amine is sourced from PubChem (CID 60976634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).