[1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol

C18H33NO2 — CID 79645750

IUPAC[1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol
SMILESCC1CC(OC2CCC(CO)(NC3CC3)C2)CC(C)(C)C1
InChIInChI=1S/C18H33NO2/c1-13-8-16(10-17(2,3)9-13)21-15-6-7-18(11-15,12-20)19-14-4-5-14/h13-16,19-20H,4-12H2,1-3H3
InChIKeyDDOBXTFZPKPHFF-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.25
Rot. Bonds5

About [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol

[1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol (PubChem CID 79645750) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol
PubChem CID79645750
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name[1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol
SMILESCC1CC(OC2CCC(CO)(NC3CC3)C2)CC(C)(C)C1
InChIInChI=1S/C18H33NO2/c1-13-8-16(10-17(2,3)9-13)21-15-6-7-18(11-15,12-20)19-14-4-5-14/h13-16,19-20H,4-12H2,1-3H3
InChIKeyDDOBXTFZPKPHFF-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylamino)-3-methoxycyclopentyl]methanol
CID 79647805
[1-(cyclopropylamino)-3-(2-methylpropoxy)cyclopentyl]methanol
CID 79647999
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357222
3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol
CID 66368346
[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
CID 64753014
[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61055766
3-(cyclopropylamino)-3-(hydroxymethyl)cyclopentan-1-ol
CID 164644074
[1-[(3,3-dimethylcyclobutyl)amino]cyclopropyl]methanol
CID 131176342
[1-(cyclopropylamino)-3-phenoxycyclopentyl]methanol
CID 79645287
[1-(cyclopropylamino)-3,3-dimethylcyclopentyl]methanol
CID 80699830
3-(3,3,5-trimethylcyclohexyl)oxyazetidine
CID 62783894

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol (CID 79645750) is [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol is CC1CC(OC2CCC(CO)(NC3CC3)C2)CC(C)(C)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol?
The InChIKey is DDOBXTFZPKPHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13-8-16(10-17(2,3)9-13)21-15-6-7-18(11-15,12-20)19-14-4-5-14/h13-16,19-20H,4-12H2,1-3H3.
What are the key properties of [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol?
[1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol has a molecular weight of 295.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanol is sourced from PubChem (CID 79645750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).