N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide

C7H15N3O — CID 138461440

IUPACN-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(N)NCC
InChIInChI=1S/C7H15N3O/c1-3-7(11)10-5-6(8)9-4-2/h3,6,9H,1,4-5,8H2,2H3,(H,10,11)
InChIKeyRKHKWAWNWOWTRQ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.82
Rot. Bonds5

About N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide

N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide (PubChem CID 138461440) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
PubChem CID138461440
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(N)NCC
InChIInChI=1S/C7H15N3O/c1-3-7(11)10-5-6(8)9-4-2/h3,6,9H,1,4-5,8H2,2H3,(H,10,11)
InChIKeyRKHKWAWNWOWTRQ-UHFFFAOYSA-N
XLogP-0.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropyl)prop-2-enamide
CID 19993421
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
N-(3-amino-2-hydroxypropyl)prop-2-enamide
CID 130759182
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
N-[2-(dipropylamino)propyl]prop-2-enamide
CID 146592668
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
sodium 3-methyl-4-(prop-2-enoylamino)butanoate
CID 175047548
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide (CID 138461440) is N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide is C=CC(=O)NCC(N)NCC.
What is the InChIKey of N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide?
The InChIKey is RKHKWAWNWOWTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-7(11)10-5-6(8)9-4-2/h3,6,9H,1,4-5,8H2,2H3,(H,10,11).
What are the key properties of N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide?
N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide has a molecular weight of 157.22 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 138461440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).