N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine

C18H31N3 — CID 106905911

IUPACN-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN(Cc2cccc(CNC(C)(C)C)n2)C1
InChIInChI=1S/C18H31N3/c1-5-15-8-7-11-21(13-15)14-17-10-6-9-16(20-17)12-19-18(2,3)4/h6,9-10,15,19H,5,7-8,11-14H2,1-4H3
InChIKeyMUDSFLTXCCBQTM-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.59
Rot. Bonds5

About N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 106905911) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID106905911
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN(Cc2cccc(CNC(C)(C)C)n2)C1
InChIInChI=1S/C18H31N3/c1-5-15-8-7-11-21(13-15)14-17-10-6-9-16(20-17)12-19-18(2,3)4/h6,9-10,15,19H,5,7-8,11-14H2,1-4H3
InChIKeyMUDSFLTXCCBQTM-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106906741
N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905667
N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 106906528
2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906466
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
1-[(6-chloro-2-pyridinyl)methyl]-4-ethylazepane
CID 79038526
1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907083
2-methyl-N-[[6-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285603
N-[[5-(3-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107379243
[1-[[6-(methylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 79242797
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106206102

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 106905911) is N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is CCC1CCCN(Cc2cccc(CNC(C)(C)C)n2)C1.
What is the InChIKey of N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MUDSFLTXCCBQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-15-8-7-11-21(13-15)14-17-10-6-9-16(20-17)12-19-18(2,3)4/h6,9-10,15,19H,5,7-8,11-14H2,1-4H3.
What are the key properties of N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106905911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).