[2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol

C14H22N2O — CID 61256024

IUPAC[2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N(C)C2CCCC2)n1
InChIInChI=1S/C14H22N2O/c1-10-8-11(2)15-14(13(10)9-17)16(3)12-6-4-5-7-12/h8,12,17H,4-7,9H2,1-3H3
InChIKeyIXKKNURXGWZTPP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds3

About [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol

[2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 61256024) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID61256024
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N(C)C2CCCC2)n1
InChIInChI=1S/C14H22N2O/c1-10-8-11(2)15-14(13(10)9-17)16(3)12-6-4-5-7-12/h8,12,17H,4-7,9H2,1-3H3
InChIKeyIXKKNURXGWZTPP-UHFFFAOYSA-N
XLogP2.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol (CID 61256024) is [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(N(C)C2CCCC2)n1.
What is the InChIKey of [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is IXKKNURXGWZTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-11(2)15-14(13(10)9-17)16(3)12-6-4-5-7-12/h8,12,17H,4-7,9H2,1-3H3.
What are the key properties of [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol?
[2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 61256024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).