N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine

C12H26N2 — CID 63218289

IUPACN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCN1CCCC1(C)C
InChIInChI=1S/C12H26N2/c1-11(2)10-13-7-9-14-8-5-6-12(14,3)4/h11,13H,5-10H2,1-4H3
InChIKeyWDPAQUKVKKJEGA-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds5

About N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine

N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 63218289) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
PubChem CID63218289
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCN1CCCC1(C)C
InChIInChI=1S/C12H26N2/c1-11(2)10-13-7-9-14-8-5-6-12(14,3)4/h11,13H,5-10H2,1-4H3
InChIKeyWDPAQUKVKKJEGA-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine (CID 63218289) is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine is CC(C)CNCCN1CCCC1(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is WDPAQUKVKKJEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)10-13-7-9-14-8-5-6-12(14,3)4/h11,13H,5-10H2,1-4H3.
What are the key properties of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63218289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).