1-cyano-2-(cyclopropylmethyl)guanidine

C6H10N4 — CID 21492999

IUPAC1-cyano-2-(cyclopropylmethyl)guanidine
SMILESN#CN/C(N)=N/CC1CC1
InChIInChI=1S/C6H10N4/c7-4-10-6(8)9-3-5-1-2-5/h5H,1-3H2,(H3,8,9,10)
InChIKeyRPKSLHQXTSOMOL-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.22
Rot. Bonds2

About 1-cyano-2-(cyclopropylmethyl)guanidine

1-cyano-2-(cyclopropylmethyl)guanidine (PubChem CID 21492999) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-cyano-2-(cyclopropylmethyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(cyclopropylmethyl)guanidine
PubChem CID21492999
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-cyano-2-(cyclopropylmethyl)guanidine
SMILESN#CN/C(N)=N/CC1CC1
InChIInChI=1S/C6H10N4/c7-4-10-6(8)9-3-5-1-2-5/h5H,1-3H2,(H3,8,9,10)
InChIKeyRPKSLHQXTSOMOL-UHFFFAOYSA-N
XLogP-0.22
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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 1-cyano-2-(cyclopropylmethyl)guanidine?
The IUPAC name of 1-cyano-2-(cyclopropylmethyl)guanidine (CID 21492999) is 1-cyano-2-(cyclopropylmethyl)guanidine.
What is the SMILES notation for 1-cyano-2-(cyclopropylmethyl)guanidine?
The canonical SMILES for 1-cyano-2-(cyclopropylmethyl)guanidine is N#CN/C(N)=N/CC1CC1.
What is the InChIKey of 1-cyano-2-(cyclopropylmethyl)guanidine?
The InChIKey is RPKSLHQXTSOMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-4-10-6(8)9-3-5-1-2-5/h5H,1-3H2,(H3,8,9,10).
What are the key properties of 1-cyano-2-(cyclopropylmethyl)guanidine?
1-cyano-2-(cyclopropylmethyl)guanidine has a molecular weight of 138.17 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(cyclopropylmethyl)guanidine is sourced from PubChem (CID 21492999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).