1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol

C15H24N2O — CID 114055853

IUPAC1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
SMILESCC(O)c1cccnc1N(C)C1CCCCCC1
InChIInChI=1S/C15H24N2O/c1-12(18)14-10-7-11-16-15(14)17(2)13-8-5-3-4-6-9-13/h7,10-13,18H,3-6,8-9H2,1-2H3
InChIKeyHLZZOBOJKINKGM-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds3

About 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol

1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol (PubChem CID 114055853) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
PubChem CID114055853
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
SMILESCC(O)c1cccnc1N(C)C1CCCCCC1
InChIInChI=1S/C15H24N2O/c1-12(18)14-10-7-11-16-15(14)17(2)13-8-5-3-4-6-9-13/h7,10-13,18H,3-6,8-9H2,1-2H3
InChIKeyHLZZOBOJKINKGM-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
CID 114055774
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
(E)-3-[2-[cyclohexyl(methyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 114056964
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
CID 42148071
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol (CID 114055853) is 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol is CC(O)c1cccnc1N(C)C1CCCCCC1.
What is the InChIKey of 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol?
The InChIKey is HLZZOBOJKINKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(18)14-10-7-11-16-15(14)17(2)13-8-5-3-4-6-9-13/h7,10-13,18H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol?
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114055853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).