1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine

C13H29N3 — CID 81474787

IUPAC1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCC(C)(CN)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-6-13(3,9-14)10-16-7-11(2)12(8-16)15(4)5/h11-12H,6-10,14H2,1-5H3
InChIKeyWMXLRMASJDKAQV-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.24
Rot. Bonds5

About 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474787) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474787
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCC(C)(CN)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-6-13(3,9-14)10-16-7-11(2)12(8-16)15(4)5/h11-12H,6-10,14H2,1-5H3
InChIKeyWMXLRMASJDKAQV-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474785
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate
CID 81474841
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 81474873
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanethioamide
CID 81465494
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propanamide
CID 81475312
1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81475056
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
CID 81465456
1-(4-aminohexyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 106800060
[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
CID 112629027
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanethioamide
CID 81464002
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine
CID 62263147
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol
CID 81468853

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81474787) is 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine is CCC(C)(CN)CN1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is WMXLRMASJDKAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-13(3,9-14)10-16-7-11(2)12(8-16)15(4)5/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).