[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol

C12H25NO3 — CID 79640661

IUPAC[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol
SMILESCC(C)OCCOC1CCCC(N)(CO)C1
InChIInChI=1S/C12H25NO3/c1-10(2)15-6-7-16-11-4-3-5-12(13,8-11)9-14/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQNGQOVHWWNHKIE-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.06
Rot. Bonds6

About [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol

[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol (PubChem CID 79640661) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol
PubChem CID79640661
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol
SMILESCC(C)OCCOC1CCCC(N)(CO)C1
InChIInChI=1S/C12H25NO3/c1-10(2)15-6-7-16-11-4-3-5-12(13,8-11)9-14/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQNGQOVHWWNHKIE-UHFFFAOYSA-N
XLogP1.06
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol
CID 104567715
1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid
CID 79649444
1-(methylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637773
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637327
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol
CID 104567705
[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol
CID 79640485
[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol
CID 107669171
[1-amino-3-(2-methylbutan-2-yloxy)cyclohexyl]methanol
CID 79640493
[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
CID 79640620
[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol
CID 79641071
1-(cyclopropylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79649443
[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol
CID 82009909

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol (CID 79640661) is [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol is CC(C)OCCOC1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol?
The InChIKey is QNGQOVHWWNHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2)15-6-7-16-11-4-3-5-12(13,8-11)9-14/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol?
[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol has a molecular weight of 231.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol is sourced from PubChem (CID 79640661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).