N-[N-(diaminomethylidene)carbamimidoyl]propanamide

C5H11N5O — CID 141000058

IUPACN-[N-(diaminomethylidene)carbamimidoyl]propanamide
SMILES[H]/N=C(\N=C(N)N)NC(=O)CC
InChIInChI=1S/C5H11N5O/c1-2-3(11)9-5(8)10-4(6)7/h2H2,1H3,(H6,6,7,8,9,10,11)
InChIKeyWOXLDQKULZENEH-UHFFFAOYSA-N
MW157.18 g/mol
LogP-1.28
Rot. Bonds1

About N-[N-(diaminomethylidene)carbamimidoyl]propanamide

N-[N-(diaminomethylidene)carbamimidoyl]propanamide (PubChem CID 141000058) has the molecular formula C5H11N5O and a molecular weight of 157.18 g/mol. Its IUPAC name is N-[N-(diaminomethylidene)carbamimidoyl]propanamide.

Molecular Properties

Compound NameN-[N-(diaminomethylidene)carbamimidoyl]propanamide
PubChem CID141000058
Molecular FormulaC5H11N5O
Molecular Weight157.18 g/mol
Exact Mass157.10
IUPAC NameN-[N-(diaminomethylidene)carbamimidoyl]propanamide
SMILES[H]/N=C(\N=C(N)N)NC(=O)CC
InChIInChI=1S/C5H11N5O/c1-2-3(11)9-5(8)10-4(6)7/h2H2,1H3,(H6,6,7,8,9,10,11)
InChIKeyWOXLDQKULZENEH-UHFFFAOYSA-N
XLogP-1.28
TPSA117.35 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-[N-(diaminomethylidene)carbamimidoyl]propanamide?
The IUPAC name of N-[N-(diaminomethylidene)carbamimidoyl]propanamide (CID 141000058) is N-[N-(diaminomethylidene)carbamimidoyl]propanamide.
What is the SMILES notation for N-[N-(diaminomethylidene)carbamimidoyl]propanamide?
The canonical SMILES for N-[N-(diaminomethylidene)carbamimidoyl]propanamide is [H]/N=C(\N=C(N)N)NC(=O)CC.
What is the InChIKey of N-[N-(diaminomethylidene)carbamimidoyl]propanamide?
The InChIKey is WOXLDQKULZENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O/c1-2-3(11)9-5(8)10-4(6)7/h2H2,1H3,(H6,6,7,8,9,10,11).
What are the key properties of N-[N-(diaminomethylidene)carbamimidoyl]propanamide?
N-[N-(diaminomethylidene)carbamimidoyl]propanamide has a molecular weight of 157.18 g/mol, XLogP of -1.28, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(diaminomethylidene)carbamimidoyl]propanamide is sourced from PubChem (CID 141000058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).