1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol

C11H23NO2 — CID 19910041

IUPAC1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
SMILESCC(C)C(O)NC1(CO)CCCCC1
InChIInChI=1S/C11H23NO2/c1-9(2)10(14)12-11(8-13)6-4-3-5-7-11/h9-10,12-14H,3-8H2,1-2H3
InChIKeyHFQMTWWQKHPTSN-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.25
Rot. Bonds4

About 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol

1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol (PubChem CID 19910041) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
PubChem CID19910041
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
SMILESCC(C)C(O)NC1(CO)CCCCC1
InChIInChI=1S/C11H23NO2/c1-9(2)10(14)12-11(8-13)6-4-3-5-7-11/h9-10,12-14H,3-8H2,1-2H3
InChIKeyHFQMTWWQKHPTSN-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 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 ≤ 51.25
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-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol (CID 19910041) is 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol is CC(C)C(O)NC1(CO)CCCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol?
The InChIKey is HFQMTWWQKHPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)10(14)12-11(8-13)6-4-3-5-7-11/h9-10,12-14H,3-8H2,1-2H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol?
1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 19910041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).