5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine

C13H23N3 — CID 80634035

IUPAC5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
SMILESCCCN(C)c1ccc(CC(N)CC)cn1
InChIInChI=1S/C13H23N3/c1-4-8-16(3)13-7-6-11(10-15-13)9-12(14)5-2/h6-7,10,12H,4-5,8-9,14H2,1-3H3
InChIKeyGBESQLBUNDAEOM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.21
Rot. Bonds6

About 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine

5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine (PubChem CID 80634035) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
PubChem CID80634035
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
SMILESCCCN(C)c1ccc(CC(N)CC)cn1
InChIInChI=1S/C13H23N3/c1-4-8-16(3)13-7-6-11(10-15-13)9-12(14)5-2/h6-7,10,12H,4-5,8-9,14H2,1-3H3
InChIKeyGBESQLBUNDAEOM-UHFFFAOYSA-N
XLogP2.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913
5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 80634634
5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
CID 80633509
[6-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255396
5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80633966
5-(2-aminobutyl)-N-ethyl-N-phenylpyridin-2-amine
CID 80633649
5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 80635154
5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine
CID 80630089
5-(2-aminopropyl)-N-(2-ethoxyethyl)-N-methylpyridin-2-amine
CID 81068641
5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
CID 113388464
5-(2-aminobutyl)-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 80635244
5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 80629731

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine (CID 80634035) is 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine is CCCN(C)c1ccc(CC(N)CC)cn1.
What is the InChIKey of 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine?
The InChIKey is GBESQLBUNDAEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-8-16(3)13-7-6-11(10-15-13)9-12(14)5-2/h6-7,10,12H,4-5,8-9,14H2,1-3H3.
What are the key properties of 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine?
5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 80634035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).