2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine

C11H23N — CID 102641061

IUPAC2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine
SMILESC=CC(C)(CCC)CNC(C)C
InChIInChI=1S/C11H23N/c1-6-8-11(5,7-2)9-12-10(3)4/h7,10,12H,2,6,8-9H2,1,3-5H3
InChIKeyZYBAXQQFDHUMGX-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine

2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 102641061) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID102641061
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine
SMILESC=CC(C)(CCC)CNC(C)C
InChIInChI=1S/C11H23N/c1-6-8-11(5,7-2)9-12-10(3)4/h7,10,12H,2,6,8-9H2,1,3-5H3
InChIKeyZYBAXQQFDHUMGX-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-ethenyl-2-methyl-N-propan-2-ylpentan-1-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

2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine
CID 102641034
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641012
2-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 102640736
2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641015
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641027
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980
(3S)-3-ethyl-3-methylhex-1-ene;propane-2,2-diol
CID 155705363
2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068
2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641014
2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine
CID 106457337

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine (CID 102641061) is 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine is C=CC(C)(CCC)CNC(C)C.
What is the InChIKey of 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is ZYBAXQQFDHUMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-11(5,7-2)9-12-10(3)4/h7,10,12H,2,6,8-9H2,1,3-5H3.
What are the key properties of 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine?
2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 102641061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).