1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine

C8H17N5 — CID 83036151

IUPAC1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine
SMILES[H]/N=C(/N=C(N)N)N(C)CC1CCC1
InChIInChI=1S/C8H17N5/c1-13(5-6-3-2-4-6)8(11)12-7(9)10/h6H,2-5H2,1H3,(H5,9,10,11,12)
InChIKeyVGCHKMNKSRGIED-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.07
Rot. Bonds2

About 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine

1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine (PubChem CID 83036151) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine
PubChem CID83036151
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine
SMILES[H]/N=C(/N=C(N)N)N(C)CC1CCC1
InChIInChI=1S/C8H17N5/c1-13(5-6-3-2-4-6)8(11)12-7(9)10/h6H,2-5H2,1H3,(H5,9,10,11,12)
InChIKeyVGCHKMNKSRGIED-UHFFFAOYSA-N
XLogP-0.07
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.07
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-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine?
The IUPAC name of 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine (CID 83036151) is 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine is [H]/N=C(/N=C(N)N)N(C)CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine?
The InChIKey is VGCHKMNKSRGIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-13(5-6-3-2-4-6)8(11)12-7(9)10/h6H,2-5H2,1H3,(H5,9,10,11,12).
What are the key properties of 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine?
1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine has a molecular weight of 183.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(diaminomethylidene)-1-methylguanidine is sourced from PubChem (CID 83036151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).