2-amino-N-(2-aminoethyl)propanamide;rutherfordium

C5H12N3ORf- — CID 173496992

IUPAC2-amino-N-(2-aminoethyl)propanamide;rutherfordium
SMILES[CH2-]C(N)C(=O)NCCN.[Rf]
InChIInChI=1S/C5H12N3O.Rf/c1-4(7)5(9)8-3-2-6;/h4H,1-3,6-7H2,(H,8,9);/q-1;
InChIKeyCIXPWOLTYDIMHN-UHFFFAOYSA-N
MW397.17 g/mol
LogP-1.78
Rot. Bonds3

About 2-amino-N-(2-aminoethyl)propanamide;rutherfordium

2-amino-N-(2-aminoethyl)propanamide;rutherfordium (PubChem CID 173496992) has the molecular formula C5H12N3ORf- and a molecular weight of 397.17 g/mol. Its IUPAC name is 2-amino-N-(2-aminoethyl)propanamide;rutherfordium.

Molecular Properties

Compound Name2-amino-N-(2-aminoethyl)propanamide;rutherfordium
PubChem CID173496992
Molecular FormulaC5H12N3ORf-
Molecular Weight397.17 g/mol
Exact Mass397.22
IUPAC Name2-amino-N-(2-aminoethyl)propanamide;rutherfordium
SMILES[CH2-]C(N)C(=O)NCCN.[Rf]
InChIInChI=1S/C5H12N3O.Rf/c1-4(7)5(9)8-3-2-6;/h4H,1-3,6-7H2,(H,8,9);/q-1;
InChIKeyCIXPWOLTYDIMHN-UHFFFAOYSA-N
XLogP-1.78
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.17
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-chloropropanamide
CID 61250987
(2S,3R,4S,5R)-N,N'-bis(2-aminoethyl)-2,3,4,5-tetrahydroxyhexanediamide
CID 59188977
N-(2-aminoethyl)-2-(dimethylamino)-4-methylpentanamide
CID 170685872
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 166908184
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
5-amino-N-(2-aminoethyl)-2-[bis(2-aminoethyl)amino]pentanamide
CID 91323931
N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide
CID 91190770
N-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
(3S,4S)-6-(2-aminoethylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 89221641
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-aminoethyl)propanamide;rutherfordium?
The IUPAC name of 2-amino-N-(2-aminoethyl)propanamide;rutherfordium (CID 173496992) is 2-amino-N-(2-aminoethyl)propanamide;rutherfordium.
What is the SMILES notation for 2-amino-N-(2-aminoethyl)propanamide;rutherfordium?
The canonical SMILES for 2-amino-N-(2-aminoethyl)propanamide;rutherfordium is [CH2-]C(N)C(=O)NCCN.[Rf].
What is the InChIKey of 2-amino-N-(2-aminoethyl)propanamide;rutherfordium?
The InChIKey is CIXPWOLTYDIMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N3O.Rf/c1-4(7)5(9)8-3-2-6;/h4H,1-3,6-7H2,(H,8,9);/q-1;.
What are the key properties of 2-amino-N-(2-aminoethyl)propanamide;rutherfordium?
2-amino-N-(2-aminoethyl)propanamide;rutherfordium has a molecular weight of 397.17 g/mol, XLogP of -1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-aminoethyl)propanamide;rutherfordium is sourced from PubChem (CID 173496992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).