N',N'-dihydroxy-N-methylbutane-1,4-diamine

C5H14N2O2 — CID 87282484

IUPACN',N'-dihydroxy-N-methylbutane-1,4-diamine
SMILESCNCCCCN(O)O
InChIInChI=1S/C5H14N2O2/c1-6-4-2-3-5-7(8)9/h6,8-9H,2-5H2,1H3
InChIKeyORPCRLAPALKMAG-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.07
Rot. Bonds5

About N',N'-dihydroxy-N-methylbutane-1,4-diamine

N',N'-dihydroxy-N-methylbutane-1,4-diamine (PubChem CID 87282484) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N',N'-dihydroxy-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dihydroxy-N-methylbutane-1,4-diamine
PubChem CID87282484
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC NameN',N'-dihydroxy-N-methylbutane-1,4-diamine
SMILESCNCCCCN(O)O
InChIInChI=1S/C5H14N2O2/c1-6-4-2-3-5-7(8)9/h6,8-9H,2-5H2,1H3
InChIKeyORPCRLAPALKMAG-UHFFFAOYSA-N
XLogP0.07
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dihydroxy-N-methylbutane-1,4-diamine?
The IUPAC name of N',N'-dihydroxy-N-methylbutane-1,4-diamine (CID 87282484) is N',N'-dihydroxy-N-methylbutane-1,4-diamine.
What is the SMILES notation for N',N'-dihydroxy-N-methylbutane-1,4-diamine?
The canonical SMILES for N',N'-dihydroxy-N-methylbutane-1,4-diamine is CNCCCCN(O)O.
What is the InChIKey of N',N'-dihydroxy-N-methylbutane-1,4-diamine?
The InChIKey is ORPCRLAPALKMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-6-4-2-3-5-7(8)9/h6,8-9H,2-5H2,1H3.
What are the key properties of N',N'-dihydroxy-N-methylbutane-1,4-diamine?
N',N'-dihydroxy-N-methylbutane-1,4-diamine has a molecular weight of 134.18 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dihydroxy-N-methylbutane-1,4-diamine is sourced from PubChem (CID 87282484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).