[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol

C16H31NO2 — CID 114342765

IUPAC[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
SMILESCC1(C)CCC(OCCC2CCCC2(N)CO)CC1
InChIInChI=1S/C16H31NO2/c1-15(2)9-5-14(6-10-15)19-11-7-13-4-3-8-16(13,17)12-18/h13-14,18H,3-12,17H2,1-2H3
InChIKeyIOOQAWAVDJAIAK-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.85
Rot. Bonds5

About [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol

[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol (PubChem CID 114342765) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
PubChem CID114342765
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
SMILESCC1(C)CCC(OCCC2CCCC2(N)CO)CC1
InChIInChI=1S/C16H31NO2/c1-15(2)9-5-14(6-10-15)19-11-7-13-4-3-8-16(13,17)12-18/h13-14,18H,3-12,17H2,1-2H3
InChIKeyIOOQAWAVDJAIAK-UHFFFAOYSA-N
XLogP2.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
CID 114342766
[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol
CID 79571817
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 114540899
[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol
CID 79581783
methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79571458
[1-amino-2-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclopentyl]methanol
CID 79571521
[2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79581004
[1-amino-2-[2-(dibutylamino)ethyl]cyclopentyl]methanol
CID 79571226
[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
CID 79581784
[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 79571982
2-(2-cyclobutyloxyethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79587218

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol (CID 114342765) is [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol is CC1(C)CCC(OCCC2CCCC2(N)CO)CC1.
What is the InChIKey of [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol?
The InChIKey is IOOQAWAVDJAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2)9-5-14(6-10-15)19-11-7-13-4-3-8-16(13,17)12-18/h13-14,18H,3-12,17H2,1-2H3.
What are the key properties of [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol?
[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol has a molecular weight of 269.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol is sourced from PubChem (CID 114342765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).