1-amino-6-cyclohexyloxy-2-methylhexan-2-ol

C13H27NO2 — CID 64812320

IUPAC1-amino-6-cyclohexyloxy-2-methylhexan-2-ol
SMILESCC(O)(CN)CCCCOC1CCCCC1
InChIInChI=1S/C13H27NO2/c1-13(15,11-14)9-5-6-10-16-12-7-3-2-4-8-12/h12,15H,2-11,14H2,1H3
InChIKeyHKKVBKNLBCKSMG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.22
Rot. Bonds7

About 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol

1-amino-6-cyclohexyloxy-2-methylhexan-2-ol (PubChem CID 64812320) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-cyclohexyloxy-2-methylhexan-2-ol
PubChem CID64812320
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-amino-6-cyclohexyloxy-2-methylhexan-2-ol
SMILESCC(O)(CN)CCCCOC1CCCCC1
InChIInChI=1S/C13H27NO2/c1-13(15,11-14)9-5-6-10-16-12-7-3-2-4-8-12/h12,15H,2-11,14H2,1H3
InChIKeyHKKVBKNLBCKSMG-UHFFFAOYSA-N
XLogP2.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol
CID 64815020
1-amino-5-(3-ethylcyclohexyl)oxy-2-methylpentan-2-ol
CID 64813602
2-amino-6-cyclopentyloxy-2-methylhexan-1-ol
CID 64803652
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol
CID 64813147
1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol
CID 64819646
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
CID 64814822
4-cycloheptyloxy-2,2-dimethylbutanethioamide
CID 65247901
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194
6-methylheptoxycyclohexane
CID 66984925

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol (CID 64812320) is 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol is CC(O)(CN)CCCCOC1CCCCC1.
What is the InChIKey of 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol?
The InChIKey is HKKVBKNLBCKSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(15,11-14)9-5-6-10-16-12-7-3-2-4-8-12/h12,15H,2-11,14H2,1H3.
What are the key properties of 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol?
1-amino-6-cyclohexyloxy-2-methylhexan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-cyclohexyloxy-2-methylhexan-2-ol is sourced from PubChem (CID 64812320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).