4-amino-2-ethyl-2-methylbutane-1,3-diol

C7H17NO2 — CID 21429709

IUPAC4-amino-2-ethyl-2-methylbutane-1,3-diol
SMILESCCC(C)(CO)C(O)CN
InChIInChI=1S/C7H17NO2/c1-3-7(2,5-9)6(10)4-8/h6,9-10H,3-5,8H2,1-2H3
InChIKeyNZYRYIXHCGWVFB-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.29
Rot. Bonds4

About 4-amino-2-ethyl-2-methylbutane-1,3-diol

4-amino-2-ethyl-2-methylbutane-1,3-diol (PubChem CID 21429709) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-amino-2-ethyl-2-methylbutane-1,3-diol.

Molecular Properties

Compound Name4-amino-2-ethyl-2-methylbutane-1,3-diol
PubChem CID21429709
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-amino-2-ethyl-2-methylbutane-1,3-diol
SMILESCCC(C)(CO)C(O)CN
InChIInChI=1S/C7H17NO2/c1-3-7(2,5-9)6(10)4-8/h6,9-10H,3-5,8H2,1-2H3
InChIKeyNZYRYIXHCGWVFB-UHFFFAOYSA-N
XLogP-0.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-2-methylbutane-1,3-diol?
The IUPAC name of 4-amino-2-ethyl-2-methylbutane-1,3-diol (CID 21429709) is 4-amino-2-ethyl-2-methylbutane-1,3-diol.
What is the SMILES notation for 4-amino-2-ethyl-2-methylbutane-1,3-diol?
The canonical SMILES for 4-amino-2-ethyl-2-methylbutane-1,3-diol is CCC(C)(CO)C(O)CN.
What is the InChIKey of 4-amino-2-ethyl-2-methylbutane-1,3-diol?
The InChIKey is NZYRYIXHCGWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-7(2,5-9)6(10)4-8/h6,9-10H,3-5,8H2,1-2H3.
What are the key properties of 4-amino-2-ethyl-2-methylbutane-1,3-diol?
4-amino-2-ethyl-2-methylbutane-1,3-diol has a molecular weight of 147.22 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-2-methylbutane-1,3-diol is sourced from PubChem (CID 21429709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).