3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine

C13H29N3 — CID 117017545

IUPAC3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC(CCN)C1(C)C
InChIInChI=1S/C13H29N3/c1-13(2)12(6-8-14)7-11-16(13)10-5-9-15(3)4/h12H,5-11,14H2,1-4H3
InChIKeyONKHDQVPFAAFEU-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds6

About 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine

3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 117017545) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID117017545
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC(CCN)C1(C)C
InChIInChI=1S/C13H29N3/c1-13(2)12(6-8-14)7-11-16(13)10-5-9-15(3)4/h12H,5-11,14H2,1-4H3
InChIKeyONKHDQVPFAAFEU-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine
CID 117017535
methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022946
2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine
CID 117017552
[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017613
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
2-(1-cyclopropyl-2,2-dimethylpiperidin-3-yl)ethanamine
CID 117019627
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-amine
CID 117020090
[1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-yl]methanol
CID 117017703
1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol
CID 117017918
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine
CID 83831660
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
CID 117024844

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine (CID 117017545) is 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCC(CCN)C1(C)C.
What is the InChIKey of 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ONKHDQVPFAAFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2)12(6-8-14)7-11-16(13)10-5-9-15(3)4/h12H,5-11,14H2,1-4H3.
What are the key properties of 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 117017545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).