1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol

C14H29NO2 — CID 64815020

IUPAC1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol
SMILESCC1CCCC(OCCCCC(C)(O)CN)C1
InChIInChI=1S/C14H29NO2/c1-12-6-5-7-13(10-12)17-9-4-3-8-14(2,16)11-15/h12-13,16H,3-11,15H2,1-2H3
InChIKeyYIIXGMAALBPFPU-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.46
Rot. Bonds7

About 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol

1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol (PubChem CID 64815020) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol
PubChem CID64815020
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol
SMILESCC1CCCC(OCCCCC(C)(O)CN)C1
InChIInChI=1S/C14H29NO2/c1-12-6-5-7-13(10-12)17-9-4-3-8-14(2,16)11-15/h12-13,16H,3-11,15H2,1-2H3
InChIKeyYIIXGMAALBPFPU-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol?
The IUPAC name of 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol (CID 64815020) is 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol?
The canonical SMILES for 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol is CC1CCCC(OCCCCC(C)(O)CN)C1.
What is the InChIKey of 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol?
The InChIKey is YIIXGMAALBPFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12-6-5-7-13(10-12)17-9-4-3-8-14(2,16)11-15/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol?
1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol is sourced from PubChem (CID 64815020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).