N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid

C9H20N2O2 — CID 87238124

IUPACN'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCNCCCN
InChIInChI=1S/C5H14N2.C4H6O2/c1-2-7-5-3-4-6;1-3(2)4(5)6/h7H,2-6H2,1H3;1H2,2H3,(H,5,6)
InChIKeyXDYSYJUFDODFCX-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.59
Rot. Bonds5

About N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid

N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid (PubChem CID 87238124) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid.

Molecular Properties

Compound NameN'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid
PubChem CID87238124
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCNCCCN
InChIInChI=1S/C5H14N2.C4H6O2/c1-2-7-5-3-4-6;1-3(2)4(5)6/h7H,2-6H2,1H3;1H2,2H3,(H,5,6)
InChIKeyXDYSYJUFDODFCX-UHFFFAOYSA-N
XLogP0.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid 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

acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
6-(ethylamino)-2-methylidenehexanoic acid
CID 22731125
12-aminododecan-1-ol;2-methylprop-2-enoic acid
CID 175402226
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
S-[2-(3-aminopropylamino)ethyl] ethanethioate;dihydrobromide
CID 10337177
CID 173413432
CID 173413432
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
3-(ethylamino)propyl acetate
CID 88999125

Frequently Asked Questions

What is the IUPAC name of N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid?
The IUPAC name of N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid (CID 87238124) is N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid.
What is the SMILES notation for N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid?
The canonical SMILES for N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCNCCCN.
What is the InChIKey of N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid?
The InChIKey is XDYSYJUFDODFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C4H6O2/c1-2-7-5-3-4-6;1-3(2)4(5)6/h7H,2-6H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid?
N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylpropane-1,3-diamine;2-methylprop-2-enoic acid is sourced from PubChem (CID 87238124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).