3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide

C8H18N4O — CID 173258768

IUPAC3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide
SMILESCC(C(=O)NC(C)(C)N)=C(N)CN
InChIInChI=1S/C8H18N4O/c1-5(6(10)4-9)7(13)12-8(2,3)11/h4,9-11H2,1-3H3,(H,12,13)
InChIKeyJEBGRUZWJISGDU-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.01
Rot. Bonds3

About 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide

3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide (PubChem CID 173258768) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide
PubChem CID173258768
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide
SMILESCC(C(=O)NC(C)(C)N)=C(N)CN
InChIInChI=1S/C8H18N4O/c1-5(6(10)4-9)7(13)12-8(2,3)11/h4,9-11H2,1-3H3,(H,12,13)
InChIKeyJEBGRUZWJISGDU-UHFFFAOYSA-N
XLogP-1.01
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide?
The IUPAC name of 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide (CID 173258768) is 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide.
What is the SMILES notation for 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide?
The canonical SMILES for 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide is CC(C(=O)NC(C)(C)N)=C(N)CN.
What is the InChIKey of 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide?
The InChIKey is JEBGRUZWJISGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-5(6(10)4-9)7(13)12-8(2,3)11/h4,9-11H2,1-3H3,(H,12,13).
What are the key properties of 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide?
3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide has a molecular weight of 186.26 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-(2-aminopropan-2-yl)-2-methylbut-2-enamide is sourced from PubChem (CID 173258768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).