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

C17H29N3 — CID 62469637

IUPAC3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(CC)C1CCCCC1
InChIInChI=1S/C17H29N3/c1-3-12-18-17-15(9-8-13-19-17)14-20(4-2)16-10-6-5-7-11-16/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H,18,19)
InChIKeyMZLQWSXCWIBQMI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.06
Rot. Bonds7

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

3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62469637) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62469637
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(CC)C1CCCCC1
InChIInChI=1S/C17H29N3/c1-3-12-18-17-15(9-8-13-19-17)14-20(4-2)16-10-6-5-7-11-16/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H,18,19)
InChIKeyMZLQWSXCWIBQMI-UHFFFAOYSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 102870532
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
CID 62464664
3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62471186
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
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-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146320
4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075363
N-[(2-hydrazinyl-3-pyridinyl)methyl]-N-propylcyclopropanamine
CID 62470498

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine (CID 62469637) is 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN(CC)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is MZLQWSXCWIBQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-12-18-17-15(9-8-13-19-17)14-20(4-2)16-10-6-5-7-11-16/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H,18,19).
What are the key properties of 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62469637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).