N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide

C8H17N3O — CID 22314645

IUPACN-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCN
InChIInChI=1S/C8H17N3O/c1-7(2)8(12)11-6-5-10-4-3-9/h10H,1,3-6,9H2,2H3,(H,11,12)
InChIKeyAEEBYDOHIHYYNA-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.77
Rot. Bonds6

About N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide

N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide (PubChem CID 22314645) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide
PubChem CID22314645
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCN
InChIInChI=1S/C8H17N3O/c1-7(2)8(12)11-6-5-10-4-3-9/h10H,1,3-6,9H2,2H3,(H,11,12)
InChIKeyAEEBYDOHIHYYNA-UHFFFAOYSA-N
XLogP-0.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.77
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-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide 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-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-Isopropylmethacrylamide
CID 83698
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-Allylmethacrylamide
CID 75139
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide (CID 22314645) is N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide?
The InChIKey is AEEBYDOHIHYYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(2)8(12)11-6-5-10-4-3-9/h10H,1,3-6,9H2,2H3,(H,11,12).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide?
N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 22314645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).