N,N-dihydroxypentan-2-amine

C5H13NO2 — CID 87329779

IUPACN,N-dihydroxypentan-2-amine
SMILESCCCC(C)N(O)O
InChIInChI=1S/C5H13NO2/c1-3-4-5(2)6(7)8/h5,7-8H,3-4H2,1-2H3
InChIKeyANJJRHJKQHBYTM-UHFFFAOYSA-N
MW119.16 g/mol
LogP1.26
Rot. Bonds3

About N,N-dihydroxypentan-2-amine

N,N-dihydroxypentan-2-amine (PubChem CID 87329779) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is N,N-dihydroxypentan-2-amine.

Molecular Properties

Compound NameN,N-dihydroxypentan-2-amine
PubChem CID87329779
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC NameN,N-dihydroxypentan-2-amine
SMILESCCCC(C)N(O)O
InChIInChI=1S/C5H13NO2/c1-3-4-5(2)6(7)8/h5,7-8H,3-4H2,1-2H3
InChIKeyANJJRHJKQHBYTM-UHFFFAOYSA-N
XLogP1.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxypentan-2-amine?
The IUPAC name of N,N-dihydroxypentan-2-amine (CID 87329779) is N,N-dihydroxypentan-2-amine.
What is the SMILES notation for N,N-dihydroxypentan-2-amine?
The canonical SMILES for N,N-dihydroxypentan-2-amine is CCCC(C)N(O)O.
What is the InChIKey of N,N-dihydroxypentan-2-amine?
The InChIKey is ANJJRHJKQHBYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-3-4-5(2)6(7)8/h5,7-8H,3-4H2,1-2H3.
What are the key properties of N,N-dihydroxypentan-2-amine?
N,N-dihydroxypentan-2-amine has a molecular weight of 119.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxypentan-2-amine is sourced from PubChem (CID 87329779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).