2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine

C13H27N3 — CID 83963164

IUPAC2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
SMILESCNCCC1CCN(CCNCC2CC2)C1
InChIInChI=1S/C13H27N3/c1-14-6-4-13-5-8-16(11-13)9-7-15-10-12-2-3-12/h12-15H,2-11H2,1H3
InChIKeyRQOFNJRKGRKRJZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.92
Rot. Bonds8

About 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine

2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine (PubChem CID 83963164) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
PubChem CID83963164
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
SMILESCNCCC1CCN(CCNCC2CC2)C1
InChIInChI=1S/C13H27N3/c1-14-6-4-13-5-8-16(11-13)9-7-15-10-12-2-3-12/h12-15H,2-11H2,1H3
InChIKeyRQOFNJRKGRKRJZ-UHFFFAOYSA-N
XLogP0.92
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
CID 83963211
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
CID 83963196
N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
CID 83963163
N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 83963231
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 55024318
N-(cyclopropylmethyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 60866421
N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 55159927
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine (CID 83963164) is 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine is CNCCC1CCN(CCNCC2CC2)C1.
What is the InChIKey of 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine?
The InChIKey is RQOFNJRKGRKRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-14-6-4-13-5-8-16(11-13)9-7-15-10-12-2-3-12/h12-15H,2-11H2,1H3.
What are the key properties of 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine?
2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine has a molecular weight of 225.38 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine is sourced from PubChem (CID 83963164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).