2-cyclobutyl-1-(diaminomethylidene)guanidine

C6H13N5 — CID 83036977

IUPAC2-cyclobutyl-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/C1CCC1
InChIInChI=1S/C6H13N5/c7-5(8)11-6(9)10-4-2-1-3-4/h4H,1-3H2,(H6,7,8,9,10,11)
InChIKeyFBVHSZWAHAPZIZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.87
Rot. Bonds1

About 2-cyclobutyl-1-(diaminomethylidene)guanidine

2-cyclobutyl-1-(diaminomethylidene)guanidine (PubChem CID 83036977) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-cyclobutyl-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-cyclobutyl-1-(diaminomethylidene)guanidine
PubChem CID83036977
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name2-cyclobutyl-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/C1CCC1
InChIInChI=1S/C6H13N5/c7-5(8)11-6(9)10-4-2-1-3-4/h4H,1-3H2,(H6,7,8,9,10,11)
InChIKeyFBVHSZWAHAPZIZ-UHFFFAOYSA-N
XLogP-0.87
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.87
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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Related Compounds

N''-cyclobutylguanidine
CID 20383377
Isopropylbiguanide
CID 20890
2-Butan-2-yl-1-(diaminomethylidene)guanidine
CID 20892
1-(Diaminomethylidene)-2-(3,3-difluorocyclobutyl)guanidine
CID 117798736
2-(2-Fluorocyclobutyl)guanidine
CID 138545429
2-(3-Fluorocyclobutyl)guanidine
CID 138545433
1-Cyano-2-cyclobutylguanidine
CID 21492949
N'-cyclobutylmethanimidamide
CID 54346963
(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
CID 134515806
N'-cyclobutylmethanediimine
CID 147997587
N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
CID 173758828
n-Cyclobutylguanidine hydrochloride
CID 164664033

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-cyclobutyl-1-(diaminomethylidene)guanidine (CID 83036977) is 2-cyclobutyl-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-cyclobutyl-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-cyclobutyl-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/C1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(diaminomethylidene)guanidine?
The InChIKey is FBVHSZWAHAPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c7-5(8)11-6(9)10-4-2-1-3-4/h4H,1-3H2,(H6,7,8,9,10,11).
What are the key properties of 2-cyclobutyl-1-(diaminomethylidene)guanidine?
2-cyclobutyl-1-(diaminomethylidene)guanidine has a molecular weight of 155.20 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 83036977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).