2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol

C19H35NO — CID 63472871

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C19H35NO/c1-2-6-16-7-8-18(21)17(15-16)20-13-11-19(12-14-20)9-4-3-5-10-19/h16-18,21H,2-15H2,1H3
InChIKeyAMHKETGPXBWGFZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.36
Rot. Bonds3

About 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol

2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol (PubChem CID 63472871) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol
PubChem CID63472871
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C19H35NO/c1-2-6-16-7-8-18(21)17(15-16)20-13-11-19(12-14-20)9-4-3-5-10-19/h16-18,21H,2-15H2,1H3
InChIKeyAMHKETGPXBWGFZ-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol (CID 63472871) is 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(N2CCC3(CCCCC3)CC2)C1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol?
The InChIKey is AMHKETGPXBWGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-6-16-7-8-18(21)17(15-16)20-13-11-19(12-14-20)9-4-3-5-10-19/h16-18,21H,2-15H2,1H3.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol?
2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63472871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).