[4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol

C15H24N2O — CID 81237318

IUPAC[4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(N(C)C2CCCCCC2)c(CO)cn1
InChIInChI=1S/C15H24N2O/c1-12-9-15(13(11-18)10-16-12)17(2)14-7-5-3-4-6-8-14/h9-10,14,18H,3-8,11H2,1-2H3
InChIKeyBYRKDHSEFABIOS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds3

About [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol

[4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol (PubChem CID 81237318) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol
PubChem CID81237318
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(N(C)C2CCCCCC2)c(CO)cn1
InChIInChI=1S/C15H24N2O/c1-12-9-15(13(11-18)10-16-12)17(2)14-7-5-3-4-6-8-14/h9-10,14,18H,3-8,11H2,1-2H3
InChIKeyBYRKDHSEFABIOS-UHFFFAOYSA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol (CID 81237318) is [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol is Cc1cc(N(C)C2CCCCCC2)c(CO)cn1.
What is the InChIKey of [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol?
The InChIKey is BYRKDHSEFABIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-9-15(13(11-18)10-16-12)17(2)14-7-5-3-4-6-8-14/h9-10,14,18H,3-8,11H2,1-2H3.
What are the key properties of [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol?
[4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 81237318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).