1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine

C9H21N5O — CID 83034641

IUPAC1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine
SMILESCC(C)CC(C)(O)C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H21N5O/c1-6(2)4-9(3,15)5-13-8(12)14-7(10)11/h6,15H,4-5H2,1-3H3,(H6,10,11,12,13,14)
InChIKeyOJKIKCZNAODPAV-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.63
Rot. Bonds4

About 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine

1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine (PubChem CID 83034641) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine
PubChem CID83034641
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC Name1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine
SMILESCC(C)CC(C)(O)C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H21N5O/c1-6(2)4-9(3,15)5-13-8(12)14-7(10)11/h6,15H,4-5H2,1-3H3,(H6,10,11,12,13,14)
InChIKeyOJKIKCZNAODPAV-UHFFFAOYSA-N
XLogP-0.63
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.63
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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Related Compounds

CID 20669289
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CID 103635651
CID 103635651
CID 66171670
CID 66171670
CID 66171672
CID 66171672
CID 83036785
CID 83036785
CID 83036786
CID 83036786
CID 83036987
CID 83036987
CID 103661011
CID 103661011
CID 106287289
CID 106287289
CID 106293257
CID 106293257
CID 107153088
CID 107153088
CID 130601326
CID 130601326

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine (CID 83034641) is 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine is CC(C)CC(C)(O)C/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The InChIKey is OJKIKCZNAODPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-6(2)4-9(3,15)5-13-8(12)14-7(10)11/h6,15H,4-5H2,1-3H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine has a molecular weight of 215.30 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine is sourced from PubChem (CID 83034641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).