2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide

C10H23N5O — CID 139591703

IUPAC2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide
SMILES[H]/N=C(\N)C(NC(=O)C(N)CCCN)C(C)C
InChIInChI=1S/C10H23N5O/c1-6(2)8(9(13)14)15-10(16)7(12)4-3-5-11/h6-8H,3-5,11-12H2,1-2H3,(H3,13,14)(H,15,16)
InChIKeyVWMHHNLTLJJMOG-UHFFFAOYSA-N
MW229.33 g/mol
LogP-0.87
Rot. Bonds7

About 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide

2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide (PubChem CID 139591703) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide
PubChem CID139591703
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC Name2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide
SMILES[H]/N=C(\N)C(NC(=O)C(N)CCCN)C(C)C
InChIInChI=1S/C10H23N5O/c1-6(2)8(9(13)14)15-10(16)7(12)4-3-5-11/h6-8H,3-5,11-12H2,1-2H3,(H3,13,14)(H,15,16)
InChIKeyVWMHHNLTLJJMOG-UHFFFAOYSA-N
XLogP-0.87
TPSA131.01 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-0.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide?
The IUPAC name of 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide (CID 139591703) is 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide?
The canonical SMILES for 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide is [H]/N=C(\N)C(NC(=O)C(N)CCCN)C(C)C.
What is the InChIKey of 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide?
The InChIKey is VWMHHNLTLJJMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O/c1-6(2)8(9(13)14)15-10(16)7(12)4-3-5-11/h6-8H,3-5,11-12H2,1-2H3,(H3,13,14)(H,15,16).
What are the key properties of 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide?
2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide has a molecular weight of 229.33 g/mol, XLogP of -0.87, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 139591703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).