3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol

C16H31NO — CID 165496153

IUPAC3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N1CCCCCCC1
InChIInChI=1S/C16H31NO/c1-13(2)15-9-8-14(18)12-16(15)17-10-6-4-3-5-7-11-17/h13-16,18H,3-12H2,1-2H3
InChIKeyLXVTXBKSTCXYOU-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds2

About 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol

3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165496153) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID165496153
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N1CCCCCCC1
InChIInChI=1S/C16H31NO/c1-13(2)15-9-8-14(18)12-16(15)17-10-6-4-3-5-7-11-17/h13-16,18H,3-12H2,1-2H3
InChIKeyLXVTXBKSTCXYOU-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azocan-1-yl)-4-propylcyclohexan-1-ol
CID 165499364
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
CID 176720342
4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol
CID 165496554
3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 165491160
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 165491155
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520
2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 58450035
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 65281648
3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490941

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 165496153) is 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is LXVTXBKSTCXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)15-9-8-14(18)12-16(15)17-10-6-4-3-5-7-11-17/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol?
3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 2 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165496153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).