5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine

C13H23N3 — CID 80633292

IUPAC5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1ccc(CC(C)N)cn1
InChIInChI=1S/C13H23N3/c1-5-11(3)16(4)13-7-6-12(9-15-13)8-10(2)14/h6-7,9-11H,5,8,14H2,1-4H3
InChIKeyQBPOVEJYMJWXEZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.21
Rot. Bonds5

About 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine

5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine (PubChem CID 80633292) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine
PubChem CID80633292
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1ccc(CC(C)N)cn1
InChIInChI=1S/C13H23N3/c1-5-11(3)16(4)13-7-6-12(9-15-13)8-10(2)14/h6-7,9-11H,5,8,14H2,1-4H3
InChIKeyQBPOVEJYMJWXEZ-UHFFFAOYSA-N
XLogP2.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine
CID 80633431
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913
5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
CID 80633509
N-butan-2-yl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62281072
5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 80633800
5-(2-aminopropyl)-N-(2-ethoxyethyl)-N-methylpyridin-2-amine
CID 81068641
5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 80634906
5-(2-aminopropyl)-N-benzyl-N-ethylpyridin-2-amine
CID 80633726
5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine
CID 80634982
5-(2-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80634746
5-(2-aminopropyl)-N-cyclopentyl-N-ethylpyridin-2-amine
CID 80633967

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine (CID 80633292) is 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine is CCC(C)N(C)c1ccc(CC(C)N)cn1.
What is the InChIKey of 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine?
The InChIKey is QBPOVEJYMJWXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-11(3)16(4)13-7-6-12(9-15-13)8-10(2)14/h6-7,9-11H,5,8,14H2,1-4H3.
What are the key properties of 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine?
5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine is sourced from PubChem (CID 80633292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).