1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine

C7H17N5O — CID 130570567

IUPAC1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine
SMILESCC(C)(O)CC/N=C(\N)N=C(N)N
InChIInChI=1S/C7H17N5O/c1-7(2,13)3-4-11-6(10)12-5(8)9/h13H,3-4H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyDLTYDSMTMUBQGT-UHFFFAOYSA-N
MW187.25 g/mol
LogP-1.26
Rot. Bonds3

About 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine

1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine (PubChem CID 130570567) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine
PubChem CID130570567
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine
SMILESCC(C)(O)CC/N=C(\N)N=C(N)N
InChIInChI=1S/C7H17N5O/c1-7(2,13)3-4-11-6(10)12-5(8)9/h13H,3-4H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyDLTYDSMTMUBQGT-UHFFFAOYSA-N
XLogP-1.26
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
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-hydroxy-3-methylbutyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine (CID 130570567) is 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine is CC(C)(O)CC/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine?
The InChIKey is DLTYDSMTMUBQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O/c1-7(2,13)3-4-11-6(10)12-5(8)9/h13H,3-4H2,1-2H3,(H6,8,9,10,11,12).
What are the key properties of 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine?
1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine has a molecular weight of 187.25 g/mol, XLogP of -1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine is sourced from PubChem (CID 130570567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).