3-(azocan-1-yl)-4-propylcyclohexan-1-ol

C16H31NO — CID 165499364

IUPAC3-(azocan-1-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N1CCCCCCC1
InChIInChI=1S/C16H31NO/c1-2-8-14-9-10-15(18)13-16(14)17-11-6-4-3-5-7-12-17/h14-16,18H,2-13H2,1H3
InChIKeyKLGGAFJFIHZVRS-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.58
Rot. Bonds3

About 3-(azocan-1-yl)-4-propylcyclohexan-1-ol

3-(azocan-1-yl)-4-propylcyclohexan-1-ol (PubChem CID 165499364) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(azocan-1-yl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(azocan-1-yl)-4-propylcyclohexan-1-ol
PubChem CID165499364
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-(azocan-1-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N1CCCCCCC1
InChIInChI=1S/C16H31NO/c1-2-8-14-9-10-15(18)13-16(14)17-11-6-4-3-5-7-12-17/h14-16,18H,2-13H2,1H3
InChIKeyKLGGAFJFIHZVRS-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-4-propylcyclohexan-1-ol?
The IUPAC name of 3-(azocan-1-yl)-4-propylcyclohexan-1-ol (CID 165499364) is 3-(azocan-1-yl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 3-(azocan-1-yl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 3-(azocan-1-yl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)CC1N1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-4-propylcyclohexan-1-ol?
The InChIKey is KLGGAFJFIHZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-8-14-9-10-15(18)13-16(14)17-11-6-4-3-5-7-12-17/h14-16,18H,2-13H2,1H3.
What are the key properties of 3-(azocan-1-yl)-4-propylcyclohexan-1-ol?
3-(azocan-1-yl)-4-propylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 165499364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).