1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine

C9H21N5O — CID 106116838

IUPAC1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine
SMILESCCCC(CCO)C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H21N5O/c1-2-3-7(4-5-15)6-13-9(12)14-8(10)11/h7,15H,2-6H2,1H3,(H6,10,11,12,13,14)
InChIKeyOYOQVOQJIYWZOF-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.63
Rot. Bonds6

About 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine

1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine (PubChem CID 106116838) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine
PubChem CID106116838
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC Name1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine
SMILESCCCC(CCO)C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H21N5O/c1-2-3-7(4-5-15)6-13-9(12)14-8(10)11/h7,15H,2-6H2,1H3,(H6,10,11,12,13,14)
InChIKeyOYOQVOQJIYWZOF-UHFFFAOYSA-N
XLogP-0.63
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine (CID 106116838) is 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine is CCCC(CCO)C/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The InChIKey is OYOQVOQJIYWZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-2-3-7(4-5-15)6-13-9(12)14-8(10)11/h7,15H,2-6H2,1H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine?
1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine has a molecular weight of 215.30 g/mol, XLogP of -0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)pentyl]guanidine is sourced from PubChem (CID 106116838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).