1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol

C15H29NO2 — CID 71170446

IUPAC1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol
SMILESCC(O)C1CCC(C2CCCC(C(N)O)C2)CC1
InChIInChI=1S/C15H29NO2/c1-10(17)11-5-7-12(8-6-11)13-3-2-4-14(9-13)15(16)18/h10-15,17-18H,2-9,16H2,1H3
InChIKeyLEGAEZWUXWWOEM-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.26
Rot. Bonds3

About 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol

1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol (PubChem CID 71170446) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol
PubChem CID71170446
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol
SMILESCC(O)C1CCC(C2CCCC(C(N)O)C2)CC1
InChIInChI=1S/C15H29NO2/c1-10(17)11-5-7-12(8-6-11)13-3-2-4-14(9-13)15(16)18/h10-15,17-18H,2-9,16H2,1H3
InChIKeyLEGAEZWUXWWOEM-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol?
The IUPAC name of 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol (CID 71170446) is 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol.
What is the SMILES notation for 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol?
The canonical SMILES for 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol is CC(O)C1CCC(C2CCCC(C(N)O)C2)CC1.
What is the InChIKey of 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol?
The InChIKey is LEGAEZWUXWWOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(17)11-5-7-12(8-6-11)13-3-2-4-14(9-13)15(16)18/h10-15,17-18H,2-9,16H2,1H3.
What are the key properties of 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol?
1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol has a molecular weight of 255.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol is sourced from PubChem (CID 71170446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).