1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine

C7H15N5O — CID 130567929

IUPAC1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine
SMILESCC1(C/N=C(\N)N=C(N)N)COC1
InChIInChI=1S/C7H15N5O/c1-7(3-13-4-7)2-11-6(10)12-5(8)9/h2-4H2,1H3,(H6,8,9,10,11,12)
InChIKeyIHBPHQJENSWSFK-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.39
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine

1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine (PubChem CID 130567929) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine
PubChem CID130567929
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine
SMILESCC1(C/N=C(\N)N=C(N)N)COC1
InChIInChI=1S/C7H15N5O/c1-7(3-13-4-7)2-11-6(10)12-5(8)9/h2-4H2,1H3,(H6,8,9,10,11,12)
InChIKeyIHBPHQJENSWSFK-UHFFFAOYSA-N
XLogP-1.39
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[(3-methyloxetan-3-yl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine (CID 130567929) is 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine is CC1(C/N=C(\N)N=C(N)N)COC1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine?
The InChIKey is IHBPHQJENSWSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-7(3-13-4-7)2-11-6(10)12-5(8)9/h2-4H2,1H3,(H6,8,9,10,11,12).
What are the key properties of 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine?
1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine has a molecular weight of 185.23 g/mol, XLogP of -1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(3-methyloxetan-3-yl)methyl]guanidine is sourced from PubChem (CID 130567929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).