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

C15H27N3 — CID 62469698

IUPAC4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)CC(C)CC)ccn1
InChIInChI=1S/C15H27N3/c1-5-8-16-15-10-14(7-9-17-15)12-18(4)11-13(3)6-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17)
InChIKeyMHPSBBNEZHLEKC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.38
Rot. Bonds8

About 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine

4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62469698) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62469698
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)CC(C)CC)ccn1
InChIInChI=1S/C15H27N3/c1-5-8-16-15-10-14(7-9-17-15)12-18(4)11-13(3)6-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17)
InChIKeyMHPSBBNEZHLEKC-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

4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine
CID 62470146
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
N,2-dimethyl-3-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanamide
CID 106917955
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62464531
4-[[ethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62470960
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine
CID 113367946
N-ethyl-2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62465711
6-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243172
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469766
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62464336

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine (CID 62469698) is 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1cc(CN(C)CC(C)CC)ccn1.
What is the InChIKey of 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is MHPSBBNEZHLEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-16-15-10-14(7-9-17-15)12-18(4)11-13(3)6-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17).
What are the key properties of 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine?
4-[[methyl(2-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 4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62469698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).