3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine

C10H22N2 — CID 102569972

IUPAC3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
SMILESCCN1CCCC1CCCNC
InChIInChI=1S/C10H22N2/c1-3-12-9-5-7-10(12)6-4-8-11-2/h10-11H,3-9H2,1-2H3
InChIKeyIEPGYIBDTMTBAM-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds5

About 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine

3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine (PubChem CID 102569972) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
PubChem CID102569972
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
SMILESCCN1CCCC1CCCNC
InChIInChI=1S/C10H22N2/c1-3-12-9-5-7-10(12)6-4-8-11-2/h10-11H,3-9H2,1-2H3
InChIKeyIEPGYIBDTMTBAM-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine
CID 117126787
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
5-(2-ethylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 62438607
N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 102569978
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
1-ethyl-2-hexadecylpiperidine
CID 159279911
1,2-diethylpyrrolidine;hydrochloride
CID 175060343

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine (CID 102569972) is 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine is CCN1CCCC1CCCNC.
What is the InChIKey of 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine?
The InChIKey is IEPGYIBDTMTBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-12-9-5-7-10(12)6-4-8-11-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine?
3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 102569972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).