2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine

C9H21N3 — CID 24696719

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(CN)C1
InChIInChI=1S/C9H21N3/c1-11(2)5-6-12-4-3-9(7-10)8-12/h9H,3-8,10H2,1-2H3
InChIKeyUGPZYJIYGKMADR-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.17
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine

2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine (PubChem CID 24696719) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine
PubChem CID24696719
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(CN)C1
InChIInChI=1S/C9H21N3/c1-11(2)5-6-12-4-3-9(7-10)8-12/h9H,3-8,10H2,1-2H3
InChIKeyUGPZYJIYGKMADR-UHFFFAOYSA-N
XLogP-0.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 14086165
(1-Methylpyrrolidin-3-yl)methanamine
CID 17389965
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
1-(Cyclopropylmethyl)pyrrolidin-3-amine
CID 16244565
(1-(Propan-2-yl)pyrrolidin-3-yl)methanamine
CID 21978903
(1-Tert-butylpyrrolidin-3-yl)methanamine
CID 24275282
(1-Ethylpyrrolidin-3-yl)methanamine
CID 15028164
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112
1,4-Dimethylpyrrolidin-3-amine
CID 13933139
N,N-Diethyl-3-pyrrolidinemethanamine
CID 14075474

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine (CID 24696719) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is UGPZYJIYGKMADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-11(2)5-6-12-4-3-9(7-10)8-12/h9H,3-8,10H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 171.29 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 24696719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).