N-ethyl-N',N'-dihydroxypropane-1,3-diamine

C5H14N2O2 — CID 87304503

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

About N-ethyl-N',N'-dihydroxypropane-1,3-diamine

N-ethyl-N',N'-dihydroxypropane-1,3-diamine (PubChem CID 87304503) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-ethyl-N',N'-dihydroxypropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',N'-dihydroxypropane-1,3-diamine
PubChem CID87304503
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC NameN-ethyl-N',N'-dihydroxypropane-1,3-diamine
SMILESCCNCCCN(O)O
InChIInChI=1S/C5H14N2O2/c1-2-6-4-3-5-7(8)9/h6,8-9H,2-5H2,1H3
InChIKeyITTGTYIPBWKGOL-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'}

Analyze N-ethyl-N',N'-dihydroxypropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N',N'-dihydroxyhexane-1,6-diamine
CID 139878296
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
2-(ethylamino)ethanol
CID 170923531
2-[cyanomethyl-[3-(ethylamino)propyl]amino]acetonitrile
CID 61386763
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
2-(ethylamino)ethanol;hydrate
CID 174456532
N-[2-(ethylamino)ethyl]-N-hydroxyformamide
CID 145487421
2-(dimethylamino)ethanol;2-(ethylamino)ethanol
CID 88639908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',N'-dihydroxypropane-1,3-diamine?
The IUPAC name of N-ethyl-N',N'-dihydroxypropane-1,3-diamine (CID 87304503) is N-ethyl-N',N'-dihydroxypropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',N'-dihydroxypropane-1,3-diamine?
The canonical SMILES for N-ethyl-N',N'-dihydroxypropane-1,3-diamine is CCNCCCN(O)O.
What is the InChIKey of N-ethyl-N',N'-dihydroxypropane-1,3-diamine?
The InChIKey is ITTGTYIPBWKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-2-6-4-3-5-7(8)9/h6,8-9H,2-5H2,1H3.
What are the key properties of N-ethyl-N',N'-dihydroxypropane-1,3-diamine?
N-ethyl-N',N'-dihydroxypropane-1,3-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-ethyl-N',N'-dihydroxypropane-1,3-diamine is sourced from PubChem (CID 87304503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).