N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide

C8H18N4O2 — CID 90078463

IUPACN-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide
SMILESCNCCN(N)C(C)C(=O)NC(C)=O
InChIInChI=1S/C8H18N4O2/c1-6(8(14)11-7(2)13)12(9)5-4-10-3/h6,10H,4-5,9H2,1-3H3,(H,11,13,14)
InChIKeyKRYYPXMARADZQB-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.57
Rot. Bonds5

About N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide

N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide (PubChem CID 90078463) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide
PubChem CID90078463
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC NameN-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide
SMILESCNCCN(N)C(C)C(=O)NC(C)=O
InChIInChI=1S/C8H18N4O2/c1-6(8(14)11-7(2)13)12(9)5-4-10-3/h6,10H,4-5,9H2,1-3H3,(H,11,13,14)
InChIKeyKRYYPXMARADZQB-UHFFFAOYSA-N
XLogP-1.57
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-2-methylbutanamide
CID 59565834
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
(2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide
CID 18600445
N',N'-diamino-N-methylethane-1,2-diamine
CID 20647754
1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol
CID 140991632
2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid
CID 64583318
2-[4-(methylamino)butan-2-ylamino]acetamide
CID 87765136
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
2-[acetyl(deuterio)amino]-N-methylpropanamide
CID 23278344
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284
(3R)-3-amino-5-(methylamino)pentan-2-one
CID 88569461

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide?
The IUPAC name of N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide (CID 90078463) is N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide.
What is the SMILES notation for N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide?
The canonical SMILES for N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide is CNCCN(N)C(C)C(=O)NC(C)=O.
What is the InChIKey of N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide?
The InChIKey is KRYYPXMARADZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-6(8(14)11-7(2)13)12(9)5-4-10-3/h6,10H,4-5,9H2,1-3H3,(H,11,13,14).
What are the key properties of N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide?
N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide has a molecular weight of 202.26 g/mol, XLogP of -1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-[amino-[2-(methylamino)ethyl]amino]propanamide is sourced from PubChem (CID 90078463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).