N-[1-(diaminomethylideneamino)ethyl]acetamide

C5H12N4O — CID 88609974

IUPACN-[1-(diaminomethylideneamino)ethyl]acetamide
SMILESCC(=O)NC(C)N=C(N)N
InChIInChI=1S/C5H12N4O/c1-3(8-4(2)10)9-5(6)7/h3H,1-2H3,(H,8,10)(H4,6,7,9)
InChIKeyPVMSOYQQQVNJPQ-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.26
Rot. Bonds2

About N-[1-(diaminomethylideneamino)ethyl]acetamide

N-[1-(diaminomethylideneamino)ethyl]acetamide (PubChem CID 88609974) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is N-[1-(diaminomethylideneamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(diaminomethylideneamino)ethyl]acetamide
PubChem CID88609974
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC NameN-[1-(diaminomethylideneamino)ethyl]acetamide
SMILESCC(=O)NC(C)N=C(N)N
InChIInChI=1S/C5H12N4O/c1-3(8-4(2)10)9-5(6)7/h3H,1-2H3,(H,8,10)(H4,6,7,9)
InChIKeyPVMSOYQQQVNJPQ-UHFFFAOYSA-N
XLogP-1.26
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(diaminomethylideneamino)ethylamino]acetic acid
CID 87120373
N-(1-fluoroethyl)acetamide
CID 123354067
methyl (2R)-2-acetamidopropanoate
CID 6951031
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
(2S)-2-acetamido-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 155357209
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
2-(diaminomethylideneamino)propanoic acid;hydrate
CID 141309019
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966

Frequently Asked Questions

What is the IUPAC name of N-[1-(diaminomethylideneamino)ethyl]acetamide?
The IUPAC name of N-[1-(diaminomethylideneamino)ethyl]acetamide (CID 88609974) is N-[1-(diaminomethylideneamino)ethyl]acetamide.
What is the SMILES notation for N-[1-(diaminomethylideneamino)ethyl]acetamide?
The canonical SMILES for N-[1-(diaminomethylideneamino)ethyl]acetamide is CC(=O)NC(C)N=C(N)N.
What is the InChIKey of N-[1-(diaminomethylideneamino)ethyl]acetamide?
The InChIKey is PVMSOYQQQVNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-3(8-4(2)10)9-5(6)7/h3H,1-2H3,(H,8,10)(H4,6,7,9).
What are the key properties of N-[1-(diaminomethylideneamino)ethyl]acetamide?
N-[1-(diaminomethylideneamino)ethyl]acetamide has a molecular weight of 144.18 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diaminomethylideneamino)ethyl]acetamide is sourced from PubChem (CID 88609974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).