3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine

C15H27N3 — CID 62465576

IUPAC3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)CCC(C)C
InChIInChI=1S/C15H27N3/c1-5-9-16-15-14(7-6-10-17-15)12-18(4)11-8-13(2)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,16,17)
InChIKeyOHFQGKMHGQWRLK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.38
Rot. Bonds8

About 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine

3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62465576) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62465576
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)CCC(C)C
InChIInChI=1S/C15H27N3/c1-5-9-16-15-14(7-6-10-17-15)12-18(4)11-8-13(2)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,16,17)
InChIKeyOHFQGKMHGQWRLK-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 62472100
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 63965599
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
3-[[1-cyclopropylethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472252
2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62471942
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932
3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62471186
3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
N-methyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144977
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152933
3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
CID 62464664

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine (CID 62465576) is 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN(C)CCC(C)C.
What is the InChIKey of 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is OHFQGKMHGQWRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-9-16-15-14(7-6-10-17-15)12-18(4)11-8-13(2)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,16,17).
What are the key properties of 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62465576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).