1-(4-aminocyclohexyl)-2-methylpropan-2-ol

C10H21NO — CID 83816306

IUPAC1-(4-aminocyclohexyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CCC(N)CC1
InChIInChI=1S/C10H21NO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h8-9,12H,3-7,11H2,1-2H3
InChIKeyCXMOCLZCLLVZRY-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds2

About 1-(4-aminocyclohexyl)-2-methylpropan-2-ol

1-(4-aminocyclohexyl)-2-methylpropan-2-ol (PubChem CID 83816306) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-methylpropan-2-ol
PubChem CID83816306
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(4-aminocyclohexyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CCC(N)CC1
InChIInChI=1S/C10H21NO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h8-9,12H,3-7,11H2,1-2H3
InChIKeyCXMOCLZCLLVZRY-UHFFFAOYSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-aminocyclohexyl)-2-methylpropan-2-ol (CID 83816306) is 1-(4-aminocyclohexyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-methylpropan-2-ol is CC(C)(O)CC1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-methylpropan-2-ol?
The InChIKey is CXMOCLZCLLVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 1-(4-aminocyclohexyl)-2-methylpropan-2-ol?
1-(4-aminocyclohexyl)-2-methylpropan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-methylpropan-2-ol is sourced from PubChem (CID 83816306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).