4-amino-2-cyclohexyl-2-methylbutane-1,3-diol

C11H23NO2 — CID 21429720

IUPAC4-amino-2-cyclohexyl-2-methylbutane-1,3-diol
SMILESCC(CO)(C(O)CN)C1CCCCC1
InChIInChI=1S/C11H23NO2/c1-11(8-13,10(14)7-12)9-5-3-2-4-6-9/h9-10,13-14H,2-8,12H2,1H3
InChIKeyRQZZBABPRGPSQK-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.88
Rot. Bonds4

About 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol

4-amino-2-cyclohexyl-2-methylbutane-1,3-diol (PubChem CID 21429720) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol.

Molecular Properties

Compound Name4-amino-2-cyclohexyl-2-methylbutane-1,3-diol
PubChem CID21429720
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-amino-2-cyclohexyl-2-methylbutane-1,3-diol
SMILESCC(CO)(C(O)CN)C1CCCCC1
InChIInChI=1S/C11H23NO2/c1-11(8-13,10(14)7-12)9-5-3-2-4-6-9/h9-10,13-14H,2-8,12H2,1H3
InChIKeyRQZZBABPRGPSQK-UHFFFAOYSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol?
The IUPAC name of 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol (CID 21429720) is 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol.
What is the SMILES notation for 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol?
The canonical SMILES for 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol is CC(CO)(C(O)CN)C1CCCCC1.
What is the InChIKey of 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol?
The InChIKey is RQZZBABPRGPSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(8-13,10(14)7-12)9-5-3-2-4-6-9/h9-10,13-14H,2-8,12H2,1H3.
What are the key properties of 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol?
4-amino-2-cyclohexyl-2-methylbutane-1,3-diol has a molecular weight of 201.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexyl-2-methylbutane-1,3-diol is sourced from PubChem (CID 21429720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).