2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C17H29N3 — CID 79318453

IUPAC2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCCC(N)Cc1ccccc1N(C)CC1CCCN1C
InChIInChI=1S/C17H29N3/c1-4-15(18)12-14-8-5-6-10-17(14)20(3)13-16-9-7-11-19(16)2/h5-6,8,10,15-16H,4,7,9,11-13,18H2,1-3H3
InChIKeyXLQJFWBGXXBIKT-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.50
Rot. Bonds6

About 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 79318453) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID79318453
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCCC(N)Cc1ccccc1N(C)CC1CCCN1C
InChIInChI=1S/C17H29N3/c1-4-15(18)12-14-8-5-6-10-17(14)20(3)13-16-9-7-11-19(16)2/h5-6,8,10,15-16H,4,7,9,11-13,18H2,1-3H3
InChIKeyXLQJFWBGXXBIKT-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79312079
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 166503867
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861920
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
6-[(1S)-1-aminopropyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 103937477
2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 79318453) is 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is CCC(N)Cc1ccccc1N(C)CC1CCCN1C.
What is the InChIKey of 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is XLQJFWBGXXBIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-15(18)12-14-8-5-6-10-17(14)20(3)13-16-9-7-11-19(16)2/h5-6,8,10,15-16H,4,7,9,11-13,18H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 79318453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).