5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine

C17H30N4 — CID 80629731

IUPAC5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCCC(N)Cc1ccc(N(C)CC2CCCN2CC)nc1
InChIInChI=1S/C17H30N4/c1-4-15(18)11-14-8-9-17(19-12-14)20(3)13-16-7-6-10-21(16)5-2/h8-9,12,15-16H,4-7,10-11,13,18H2,1-3H3
InChIKeyCFZRVNOLWFEMLP-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.28
Rot. Bonds7

About 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine

5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 80629731) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
PubChem CID80629731
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCCC(N)Cc1ccc(N(C)CC2CCCN2CC)nc1
InChIInChI=1S/C17H30N4/c1-4-15(18)11-14-8-9-17(19-12-14)20(3)13-16-7-6-10-21(16)5-2/h8-9,12,15-16H,4-7,10-11,13,18H2,1-3H3
InChIKeyCFZRVNOLWFEMLP-UHFFFAOYSA-N
XLogP2.28
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
CID 80634035
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 79303922
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79314477
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine
CID 79311011
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine (CID 80629731) is 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine is CCC(N)Cc1ccc(N(C)CC2CCCN2CC)nc1.
What is the InChIKey of 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is CFZRVNOLWFEMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-15(18)11-14-8-9-17(19-12-14)20(3)13-16-7-6-10-21(16)5-2/h8-9,12,15-16H,4-7,10-11,13,18H2,1-3H3.
What are the key properties of 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 290.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 80629731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).