1-(diaminomethylidene)-2-propan-2-ylguanidine

C5H13N5 — CID 20890

IUPAC1-(diaminomethylidene)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)
InChIKeyUBBHRFLEDZWRNR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.02
Rot. Bonds1

About 1-(diaminomethylidene)-2-propan-2-ylguanidine

1-(diaminomethylidene)-2-propan-2-ylguanidine (PubChem CID 20890) has the molecular formula C5H13N5 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-propan-2-ylguanidine
PubChem CID20890
Molecular FormulaC5H13N5
Molecular Weight143.19 g/mol
Exact Mass143.12
IUPAC Name1-(diaminomethylidene)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)
InChIKeyUBBHRFLEDZWRNR-UHFFFAOYSA-N
XLogP-1.02
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 1-(diaminomethylidene)-2-propan-2-ylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-propan-2-ylguanidine (CID 20890) is 1-(diaminomethylidene)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-propan-2-ylguanidine is CC(C)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-propan-2-ylguanidine?
The InChIKey is UBBHRFLEDZWRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10).
What are the key properties of 1-(diaminomethylidene)-2-propan-2-ylguanidine?
1-(diaminomethylidene)-2-propan-2-ylguanidine has a molecular weight of 143.19 g/mol, XLogP of -1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-propan-2-ylguanidine is sourced from PubChem (CID 20890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).