3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol

C16H26N2O — CID 107185410

IUPAC3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
SMILESCC1(C)CCCCC1C(O)C(CN)c1ccccn1
InChIInChI=1S/C16H26N2O/c1-16(2)9-5-3-7-13(16)15(19)12(11-17)14-8-4-6-10-18-14/h4,6,8,10,12-13,15,19H,3,5,7,9,11,17H2,1-2H3
InChIKeyPDRVFKJZFNLABG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds4

About 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol

3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 107185410) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
PubChem CID107185410
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
SMILESCC1(C)CCCCC1C(O)C(CN)c1ccccn1
InChIInChI=1S/C16H26N2O/c1-16(2)9-5-3-7-13(16)15(19)12(11-17)14-8-4-6-10-18-14/h4,6,8,10,12-13,15,19H,3,5,7,9,11,17H2,1-2H3
InChIKeyPDRVFKJZFNLABG-UHFFFAOYSA-N
XLogP2.70
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,2-dimethylcyclopentyl)-2-pyridin-2-ylpropan-1-ol
CID 107185407
3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol
CID 107185223
3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol
CID 107185349
1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol
CID 83150029
4-amino-1-cyclopentyl-3-pyridin-2-ylbutan-2-ol
CID 80527107
3-amino-1-(2,2-dimethylcyclopentyl)-2-(4-ethoxyphenyl)propan-1-ol
CID 107185333
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
2,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402338
(2,2-dimethylcyclohexyl)-(2-ethoxyphenyl)methanol
CID 107192228
3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924
3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine
CID 135270641
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
CID 107192265

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol (CID 107185410) is 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol is CC1(C)CCCCC1C(O)C(CN)c1ccccn1.
What is the InChIKey of 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is PDRVFKJZFNLABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)9-5-3-7-13(16)15(19)12(11-17)14-8-4-6-10-18-14/h4,6,8,10,12-13,15,19H,3,5,7,9,11,17H2,1-2H3.
What are the key properties of 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol?
3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 107185410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).