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

C11H22N2 — CID 63218480

IUPACN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCCC1(C)C
InChIInChI=1S/C11H22N2/c1-4-7-12-8-10-13-9-5-6-11(13,2)3/h4,12H,1,5-10H2,2-3H3
InChIKeyADCRJOXNVSGZJF-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds5

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

N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine (PubChem CID 63218480) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine
PubChem CID63218480
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCCC1(C)C
InChIInChI=1S/C11H22N2/c1-4-7-12-8-10-13-9-5-6-11(13,2)3/h4,12H,1,5-10H2,2-3H3
InChIKeyADCRJOXNVSGZJF-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine (CID 63218480) is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCCC1(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine?
The InChIKey is ADCRJOXNVSGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-12-8-10-13-9-5-6-11(13,2)3/h4,12H,1,5-10H2,2-3H3.
What are the key properties of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine?
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]prop-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 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]prop-2-en-1-amine is sourced from PubChem (CID 63218480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).