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

C8H17N3O — CID 155387755

IUPACN-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCNCCN
InChIInChI=1S/C8H17N3O/c1-3-8(12)11(2)7-6-10-5-4-9/h3,10H,1,4-7,9H2,2H3
InChIKeyNZUADZMACGPPMF-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.82
Rot. Bonds6

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

N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide (PubChem CID 155387755) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide
PubChem CID155387755
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCNCCN
InChIInChI=1S/C8H17N3O/c1-3-8(12)11(2)7-6-10-5-4-9/h3,10H,1,4-7,9H2,2H3
InChIKeyNZUADZMACGPPMF-UHFFFAOYSA-N
XLogP-0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
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'}

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Related Compounds

(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-Ethyl acrylamide
CID 9793705
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N-(2-Amino-2-oxoethyl)acrylamide
CID 20038864
N-(2-Aminoethyl)acrylamide hydrochloride
CID 21939126
Ammonium, vinylenebis(carbonylimino)diethylenebis(trimethyl-, diiodide
CID 6434678
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
N-(2-aminoethyl)acrylamide
CID 152664

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide (CID 155387755) is N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide?
The InChIKey is NZUADZMACGPPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-8(12)11(2)7-6-10-5-4-9/h3,10H,1,4-7,9H2,2H3.
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide?
N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 155387755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).