5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine

C18H33N3 — CID 80638929

IUPAC5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
SMILESCCCCN(CCCC)c1ncc(CC(N)CC)cc1C
InChIInChI=1S/C18H33N3/c1-5-8-10-21(11-9-6-2)18-15(4)12-16(14-20-18)13-17(19)7-3/h12,14,17H,5-11,13,19H2,1-4H3
InChIKeyWUMFOAPBVIIOQV-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.08
Rot. Bonds10

About 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine

5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine (PubChem CID 80638929) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
PubChem CID80638929
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
SMILESCCCCN(CCCC)c1ncc(CC(N)CC)cc1C
InChIInChI=1S/C18H33N3/c1-5-8-10-21(11-9-6-2)18-15(4)12-16(14-20-18)13-17(19)7-3/h12,14,17H,5-11,13,19H2,1-4H3
InChIKeyWUMFOAPBVIIOQV-UHFFFAOYSA-N
XLogP4.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80629812
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80630732
5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine
CID 80629852
5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80633736
5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 80630719
5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
CID 113388464
5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80637344
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine
CID 107783616
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine (CID 80638929) is 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine is CCCCN(CCCC)c1ncc(CC(N)CC)cc1C.
What is the InChIKey of 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine?
The InChIKey is WUMFOAPBVIIOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-8-10-21(11-9-6-2)18-15(4)12-16(14-20-18)13-17(19)7-3/h12,14,17H,5-11,13,19H2,1-4H3.
What are the key properties of 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine?
5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine is sourced from PubChem (CID 80638929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).