4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol

C10H21NO2 — CID 59401509

IUPAC4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC(C)OCC1(O)CCC(N)CC1
InChIInChI=1S/C10H21NO2/c1-8(2)13-7-10(12)5-3-9(11)4-6-10/h8-9,12H,3-7,11H2,1-2H3
InChIKeyMLBPVMNEAQZCLZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds3

About 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol

4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol (PubChem CID 59401509) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
PubChem CID59401509
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC(C)OCC1(O)CCC(N)CC1
InChIInChI=1S/C10H21NO2/c1-8(2)13-7-10(12)5-3-9(11)4-6-10/h8-9,12H,3-7,11H2,1-2H3
InChIKeyMLBPVMNEAQZCLZ-UHFFFAOYSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol (CID 59401509) is 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol is CC(C)OCC1(O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The InChIKey is MLBPVMNEAQZCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)13-7-10(12)5-3-9(11)4-6-10/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 59401509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).