[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol

C15H24N2O — CID 63622827

IUPAC[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N2CCCC(C)CC2)n1
InChIInChI=1S/C15H24N2O/c1-11-5-4-7-17(8-6-11)15-14(10-18)12(2)9-13(3)16-15/h9,11,18H,4-8,10H2,1-3H3
InChIKeyGFLZCMVGKHNNQD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.82
Rot. Bonds2

About [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol

[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol (PubChem CID 63622827) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol
PubChem CID63622827
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N2CCCC(C)CC2)n1
InChIInChI=1S/C15H24N2O/c1-11-5-4-7-17(8-6-11)15-14(10-18)12(2)9-13(3)16-15/h9,11,18H,4-8,10H2,1-3H3
InChIKeyGFLZCMVGKHNNQD-UHFFFAOYSA-N
XLogP2.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol (CID 63622827) is [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(N2CCCC(C)CC2)n1.
What is the InChIKey of [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol?
The InChIKey is GFLZCMVGKHNNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-4-7-17(8-6-11)15-14(10-18)12(2)9-13(3)16-15/h9,11,18H,4-8,10H2,1-3H3.
What are the key properties of [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol?
[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 63622827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).