N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide

C7H13N3O — CID 176713937

IUPACN-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide
SMILESCC(C)/C(N)=C/C(N)=N/C=O
InChIInChI=1S/C7H13N3O/c1-5(2)6(8)3-7(9)10-4-11/h3-5H,8H2,1-2H3,(H2,9,10,11)/b6-3-
InChIKeyRTOGSGGGIXLWEJ-UTCJRWHESA-N
MW155.20 g/mol
LogP-0.00
Rot. Bonds3

About N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide

N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide (PubChem CID 176713937) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide.

Molecular Properties

Compound NameN-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide
PubChem CID176713937
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide
SMILESCC(C)/C(N)=C/C(N)=N/C=O
InChIInChI=1S/C7H13N3O/c1-5(2)6(8)3-7(9)10-4-11/h3-5H,8H2,1-2H3,(H2,9,10,11)/b6-3-
InChIKeyRTOGSGGGIXLWEJ-UTCJRWHESA-N
XLogP-0.00
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide?
The IUPAC name of N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide (CID 176713937) is N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide.
What is the SMILES notation for N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide?
The canonical SMILES for N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide is CC(C)/C(N)=C/C(N)=N/C=O.
What is the InChIKey of N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide?
The InChIKey is RTOGSGGGIXLWEJ-UTCJRWHESA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)6(8)3-7(9)10-4-11/h3-5H,8H2,1-2H3,(H2,9,10,11)/b6-3-.
What are the key properties of N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide?
N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide has a molecular weight of 155.20 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide is sourced from PubChem (CID 176713937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).