3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol

C13H27NO2 — CID 81410855

IUPAC3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC1CCCCC1CO
InChIInChI=1S/C13H27NO2/c1-13(2,10-16)9-14-7-11-5-3-4-6-12(11)8-15/h11-12,14-16H,3-10H2,1-2H3
InChIKeyFZGYVQFTVUPJHM-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.39
Rot. Bonds6

About 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol

3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 81410855) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol
PubChem CID81410855
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC1CCCCC1CO
InChIInChI=1S/C13H27NO2/c1-13(2,10-16)9-14-7-11-5-3-4-6-12(11)8-15/h11-12,14-16H,3-10H2,1-2H3
InChIKeyFZGYVQFTVUPJHM-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol (CID 81410855) is 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCC1CCCCC1CO.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is FZGYVQFTVUPJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,10-16)9-14-7-11-5-3-4-6-12(11)8-15/h11-12,14-16H,3-10H2,1-2H3.
What are the key properties of 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol?
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81410855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).