2-amino-2-(diaminomethylideneamino)butanamide

C5H13N5O — CID 155675349

IUPAC2-amino-2-(diaminomethylideneamino)butanamide
SMILESCCC(N)(N=C(N)N)C(N)=O
InChIInChI=1S/C5H13N5O/c1-2-5(9,3(6)11)10-4(7)8/h2,9H2,1H3,(H2,6,11)(H4,7,8,10)
InChIKeyXSFYLMYEUSOQPF-UHFFFAOYSA-N
MW159.19 g/mol
LogP-2.19
Rot. Bonds3

About 2-amino-2-(diaminomethylideneamino)butanamide

2-amino-2-(diaminomethylideneamino)butanamide (PubChem CID 155675349) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-amino-2-(diaminomethylideneamino)butanamide.

Molecular Properties

Compound Name2-amino-2-(diaminomethylideneamino)butanamide
PubChem CID155675349
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC Name2-amino-2-(diaminomethylideneamino)butanamide
SMILESCCC(N)(N=C(N)N)C(N)=O
InChIInChI=1S/C5H13N5O/c1-2-5(9,3(6)11)10-4(7)8/h2,9H2,1H3,(H2,6,11)(H4,7,8,10)
InChIKeyXSFYLMYEUSOQPF-UHFFFAOYSA-N
XLogP-2.19
TPSA133.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-amino-2-ethylbutanamide;ethane
CID 176999268
2-(15N)azanyl-2-methylbutanamide
CID 10844374
2,2-dihydroxybutanamide
CID 22465138
2-[3-(hydroxymethyl)pentan-3-yl]guanidine
CID 62522330
trifluoromethanesulfonic acid;2-(2,3,3-trimethylpentan-2-yl)guanidine
CID 173080792
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
2-amino-2-but-2-ynylpropanediamide
CID 62705425
2-ethyl-2-propylpentanamide
CID 10352144
2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine
CID 175309521
carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
2,2,3,3,4,4-hexaaminohexanoic acid
CID 118047883

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(diaminomethylideneamino)butanamide?
The IUPAC name of 2-amino-2-(diaminomethylideneamino)butanamide (CID 155675349) is 2-amino-2-(diaminomethylideneamino)butanamide.
What is the SMILES notation for 2-amino-2-(diaminomethylideneamino)butanamide?
The canonical SMILES for 2-amino-2-(diaminomethylideneamino)butanamide is CCC(N)(N=C(N)N)C(N)=O.
What is the InChIKey of 2-amino-2-(diaminomethylideneamino)butanamide?
The InChIKey is XSFYLMYEUSOQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c1-2-5(9,3(6)11)10-4(7)8/h2,9H2,1H3,(H2,6,11)(H4,7,8,10).
What are the key properties of 2-amino-2-(diaminomethylideneamino)butanamide?
2-amino-2-(diaminomethylideneamino)butanamide has a molecular weight of 159.19 g/mol, XLogP of -2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(diaminomethylideneamino)butanamide is sourced from PubChem (CID 155675349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).