1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol

C12H25NO2 — CID 58488611

IUPAC1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol
SMILESCC(C)(C)CNC1(O)CCCCC1CO
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-13-12(15)7-5-4-6-10(12)8-14/h10,13-15H,4-9H2,1-3H3
InChIKeyDKKABKVJQQKGJX-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.49
Rot. Bonds3

About 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol

1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol (PubChem CID 58488611) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol
PubChem CID58488611
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol
SMILESCC(C)(C)CNC1(O)CCCCC1CO
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-13-12(15)7-5-4-6-10(12)8-14/h10,13-15H,4-9H2,1-3H3
InChIKeyDKKABKVJQQKGJX-UHFFFAOYSA-N
XLogP1.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol (CID 58488611) is 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol is CC(C)(C)CNC1(O)CCCCC1CO.
What is the InChIKey of 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol?
The InChIKey is DKKABKVJQQKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)9-13-12(15)7-5-4-6-10(12)8-14/h10,13-15H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol?
1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 58488611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).