1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol

C13H29NO2 — CID 81418868

IUPAC1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
SMILESCCC(C)(CO)CNCC(C)(O)CC(C)C
InChIInChI=1S/C13H29NO2/c1-6-12(4,10-15)8-14-9-13(5,16)7-11(2)3/h11,14-16H,6-10H2,1-5H3
InChIKeyNGRCRYBIYZFXSA-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.78
Rot. Bonds8

About 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol

1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 81418868) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
PubChem CID81418868
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
SMILESCCC(C)(CO)CNCC(C)(O)CC(C)C
InChIInChI=1S/C13H29NO2/c1-6-12(4,10-15)8-14-9-13(5,16)7-11(2)3/h11,14-16H,6-10H2,1-5H3
InChIKeyNGRCRYBIYZFXSA-UHFFFAOYSA-N
XLogP1.78
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol (CID 81418868) is 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol is CCC(C)(CO)CNCC(C)(O)CC(C)C.
What is the InChIKey of 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is NGRCRYBIYZFXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-12(4,10-15)8-14-9-13(5,16)7-11(2)3/h11,14-16H,6-10H2,1-5H3.
What are the key properties of 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol?
1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 81418868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).