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

C17H29N3 — CID 62464664

IUPAC3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)C1CCCCC1C
InChIInChI=1S/C17H29N3/c1-4-11-18-17-15(9-7-12-19-17)13-20(3)16-10-6-5-8-14(16)2/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3,(H,18,19)
InChIKeyONARFEPVOBLNOH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.91
Rot. Bonds6

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

3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62464664) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62464664
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)C1CCCCC1C
InChIInChI=1S/C17H29N3/c1-4-11-18-17-15(9-7-12-19-17)13-20(3)16-10-6-5-8-14(16)2/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3,(H,18,19)
InChIKeyONARFEPVOBLNOH-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469637
3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62471186
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581
3-[[1-cyclopropylethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472252
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
2-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 102870532
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 63965599
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576
3-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 63633007

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine (CID 62464664) is 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN(C)C1CCCCC1C.
What is the InChIKey of 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is ONARFEPVOBLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-11-18-17-15(9-7-12-19-17)13-20(3)16-10-6-5-8-14(16)2/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3,(H,18,19).
What are the key properties of 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine?
3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62464664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).