2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol

C10H23NO2 — CID 170645693

IUPAC2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol
SMILESCC(C)(N)CC(C)(C)C(CO)CO
InChIInChI=1S/C10H23NO2/c1-9(2,7-10(3,4)11)8(5-12)6-13/h8,12-13H,5-7,11H2,1-4H3
InChIKeyZVWNPHFEZKBDST-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.74
Rot. Bonds5

About 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol

2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol (PubChem CID 170645693) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol
PubChem CID170645693
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol
SMILESCC(C)(N)CC(C)(C)C(CO)CO
InChIInChI=1S/C10H23NO2/c1-9(2,7-10(3,4)11)8(5-12)6-13/h8,12-13H,5-7,11H2,1-4H3
InChIKeyZVWNPHFEZKBDST-UHFFFAOYSA-N
XLogP0.74
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol?
The IUPAC name of 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol (CID 170645693) is 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol.
What is the SMILES notation for 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol?
The canonical SMILES for 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol is CC(C)(N)CC(C)(C)C(CO)CO.
What is the InChIKey of 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol?
The InChIKey is ZVWNPHFEZKBDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(2,7-10(3,4)11)8(5-12)6-13/h8,12-13H,5-7,11H2,1-4H3.
What are the key properties of 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol?
2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol has a molecular weight of 189.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,4-dimethylpentan-2-yl)propane-1,3-diol is sourced from PubChem (CID 170645693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).