[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol

C15H29NO3 — CID 79640489

IUPAC[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OCC2CCOC2)C1
InChIInChI=1S/C15H29NO3/c1-2-7-16-15(12-17)6-3-4-14(9-15)19-11-13-5-8-18-10-13/h13-14,16-17H,2-12H2,1H3
InChIKeyBZUZLZPNHODPKU-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.71
Rot. Bonds7

About [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol

[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol (PubChem CID 79640489) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
PubChem CID79640489
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OCC2CCOC2)C1
InChIInChI=1S/C15H29NO3/c1-2-7-16-15(12-17)6-3-4-14(9-15)19-11-13-5-8-18-10-13/h13-14,16-17H,2-12H2,1H3
InChIKeyBZUZLZPNHODPKU-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol
CID 79640652
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646705
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737
[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol
CID 79640485
[1-(ethylamino)-3-(2-methylpropoxy)cyclohexyl]methanol
CID 79640982
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646271
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638648
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol (CID 79640489) is [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(OCC2CCOC2)C1.
What is the InChIKey of [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is BZUZLZPNHODPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-7-16-15(12-17)6-3-4-14(9-15)19-11-13-5-8-18-10-13/h13-14,16-17H,2-12H2,1H3.
What are the key properties of [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol?
[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 271.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).