2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol

C13H27NO2 — CID 165444344

IUPAC2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol
SMILESCOC(C)(C)CCC1(O)CCC(C)CC1N
InChIInChI=1S/C13H27NO2/c1-10-5-6-13(15,11(14)9-10)8-7-12(2,3)16-4/h10-11,15H,5-9,14H2,1-4H3
InChIKeyHJXROQUBFPVBNV-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol

2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol (PubChem CID 165444344) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol
PubChem CID165444344
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol
SMILESCOC(C)(C)CCC1(O)CCC(C)CC1N
InChIInChI=1S/C13H27NO2/c1-10-5-6-13(15,11(14)9-10)8-7-12(2,3)16-4/h10-11,15H,5-9,14H2,1-4H3
InChIKeyHJXROQUBFPVBNV-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol (CID 165444344) is 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol is COC(C)(C)CCC1(O)CCC(C)CC1N.
What is the InChIKey of 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol?
The InChIKey is HJXROQUBFPVBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10-5-6-13(15,11(14)9-10)8-7-12(2,3)16-4/h10-11,15H,5-9,14H2,1-4H3.
What are the key properties of 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol?
2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 165444344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).