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

C16H27N3 — CID 55075363

IUPAC4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(CC)C2CCCC2)ccn1
InChIInChI=1S/C16H27N3/c1-3-10-17-16-12-14(9-11-18-16)13-19(4-2)15-7-5-6-8-15/h9,11-12,15H,3-8,10,13H2,1-2H3,(H,17,18)
InChIKeyPEFZGDFMXKQFTC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds7

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

4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 55075363) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID55075363
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(CC)C2CCCC2)ccn1
InChIInChI=1S/C16H27N3/c1-3-10-17-16-12-14(9-11-18-16)13-19(4-2)15-7-5-6-8-15/h9,11-12,15H,3-8,10,13H2,1-2H3,(H,17,18)
InChIKeyPEFZGDFMXKQFTC-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile
CID 62470702
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636839
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
CID 63501562
4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884989
4-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62471589
4-[[ethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62470960
2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol
CID 102870554
3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469637
N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
CID 62301725

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine (CID 55075363) is 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1cc(CN(CC)C2CCCC2)ccn1.
What is the InChIKey of 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is PEFZGDFMXKQFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-10-17-16-12-14(9-11-18-16)13-19(4-2)15-7-5-6-8-15/h9,11-12,15H,3-8,10,13H2,1-2H3,(H,17,18).
What are the key properties of 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine?
4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 55075363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).