[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol

C17H33NO2 — CID 79640737

IUPAC[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OC2CCCC(C)C2)C1
InChIInChI=1S/C17H33NO2/c1-3-10-18-17(13-19)9-5-8-16(12-17)20-15-7-4-6-14(2)11-15/h14-16,18-19H,3-13H2,1-2H3
InChIKeyNKJTUOCJPHATCB-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.26
Rot. Bonds6

About [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol

[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol (PubChem CID 79640737) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
PubChem CID79640737
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OC2CCCC(C)C2)C1
InChIInChI=1S/C17H33NO2/c1-3-10-18-17(13-19)9-5-8-16(12-17)20-15-7-4-6-14(2)11-15/h14-16,18-19H,3-13H2,1-2H3
InChIKeyNKJTUOCJPHATCB-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
CID 79640489
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79640385
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
CID 79633532
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638648
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol (CID 79640737) is [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(OC2CCCC(C)C2)C1.
What is the InChIKey of [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol?
The InChIKey is NKJTUOCJPHATCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-10-18-17(13-19)9-5-8-16(12-17)20-15-7-4-6-14(2)11-15/h14-16,18-19H,3-13H2,1-2H3.
What are the key properties of [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol?
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol has a molecular weight of 283.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).