2-methyl-N-prop-2-enylpentan-2-amine

C9H19N — CID 115600901

IUPAC2-methyl-N-prop-2-enylpentan-2-amine
SMILESC=CCNC(C)(C)CCC
InChIInChI=1S/C9H19N/c1-5-7-9(3,4)10-8-6-2/h6,10H,2,5,7-8H2,1,3-4H3
InChIKeyQKCSEGIJHHHVCU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds5

About 2-methyl-N-prop-2-enylpentan-2-amine

2-methyl-N-prop-2-enylpentan-2-amine (PubChem CID 115600901) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpentan-2-amine
PubChem CID115600901
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-methyl-N-prop-2-enylpentan-2-amine
SMILESC=CCNC(C)(C)CCC
InChIInChI=1S/C9H19N/c1-5-7-9(3,4)10-8-6-2/h6,10H,2,5,7-8H2,1,3-4H3
InChIKeyQKCSEGIJHHHVCU-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpentan-2-amine?
The IUPAC name of 2-methyl-N-prop-2-enylpentan-2-amine (CID 115600901) is 2-methyl-N-prop-2-enylpentan-2-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enylpentan-2-amine?
The canonical SMILES for 2-methyl-N-prop-2-enylpentan-2-amine is C=CCNC(C)(C)CCC.
What is the InChIKey of 2-methyl-N-prop-2-enylpentan-2-amine?
The InChIKey is QKCSEGIJHHHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-9(3,4)10-8-6-2/h6,10H,2,5,7-8H2,1,3-4H3.
What are the key properties of 2-methyl-N-prop-2-enylpentan-2-amine?
2-methyl-N-prop-2-enylpentan-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpentan-2-amine is sourced from PubChem (CID 115600901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).