2-amino-2-propan-2-ylpentane-1,5-diol

C8H19NO2 — CID 59456900

IUPAC2-amino-2-propan-2-ylpentane-1,5-diol
SMILESCC(C)C(N)(CO)CCCO
InChIInChI=1S/C8H19NO2/c1-7(2)8(9,6-11)4-3-5-10/h7,10-11H,3-6,9H2,1-2H3
InChIKeyMVZNCWWBCIIEMK-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.10
Rot. Bonds5

About 2-amino-2-propan-2-ylpentane-1,5-diol

2-amino-2-propan-2-ylpentane-1,5-diol (PubChem CID 59456900) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-amino-2-propan-2-ylpentane-1,5-diol.

Molecular Properties

Compound Name2-amino-2-propan-2-ylpentane-1,5-diol
PubChem CID59456900
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-amino-2-propan-2-ylpentane-1,5-diol
SMILESCC(C)C(N)(CO)CCCO
InChIInChI=1S/C8H19NO2/c1-7(2)8(9,6-11)4-3-5-10/h7,10-11H,3-6,9H2,1-2H3
InChIKeyMVZNCWWBCIIEMK-UHFFFAOYSA-N
XLogP0.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-propan-2-ylpentane-1,5-diol?
The IUPAC name of 2-amino-2-propan-2-ylpentane-1,5-diol (CID 59456900) is 2-amino-2-propan-2-ylpentane-1,5-diol.
What is the SMILES notation for 2-amino-2-propan-2-ylpentane-1,5-diol?
The canonical SMILES for 2-amino-2-propan-2-ylpentane-1,5-diol is CC(C)C(N)(CO)CCCO.
What is the InChIKey of 2-amino-2-propan-2-ylpentane-1,5-diol?
The InChIKey is MVZNCWWBCIIEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2)8(9,6-11)4-3-5-10/h7,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-amino-2-propan-2-ylpentane-1,5-diol?
2-amino-2-propan-2-ylpentane-1,5-diol has a molecular weight of 161.24 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-propan-2-ylpentane-1,5-diol is sourced from PubChem (CID 59456900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).