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

C10H23N3 — CID 115492059

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)N1CCC(CN)C1
InChIInChI=1S/C10H23N3/c1-9(7-12(2)3)13-5-4-10(6-11)8-13/h9-10H,4-8,11H2,1-3H3
InChIKeyUTILHSXZEJNQBD-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.22
Rot. Bonds4

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

2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 115492059) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID115492059
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)N1CCC(CN)C1
InChIInChI=1S/C10H23N3/c1-9(7-12(2)3)13-5-4-10(6-11)8-13/h9-10H,4-8,11H2,1-3H3
InChIKeyUTILHSXZEJNQBD-UHFFFAOYSA-N
XLogP0.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
2-[3-(Aminomethyl)-1-pyrrolidinyl]-N,N-dimethylethanamine
CID 24696719
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
2-(Pyrrolidin-1-yl)propan-1-amine
CID 11051670
3-(Diethylamino)pyrrolidine
CID 19961995
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
1-Methylpyrrolidin-3-amine
CID 18940396
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine (CID 115492059) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine is CC(CN(C)C)N1CCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is UTILHSXZEJNQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(7-12(2)3)13-5-4-10(6-11)8-13/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 0.22, 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-dimethylpropan-1-amine is sourced from PubChem (CID 115492059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).