1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride

C10H24ClN5 — CID 11970420

IUPAC1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride
SMILESCCCCC(CC)C/N=C(\N)N=C(N)N.Cl
InChIInChI=1S/C10H23N5.ClH/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12;/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15);1H
InChIKeyDXSBUCPFFVHNST-UHFFFAOYSA-N
MW249.79 g/mol
LogP1.21
Rot. Bonds6

About 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride (PubChem CID 11970420) has the molecular formula C10H24ClN5 and a molecular weight of 249.79 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride
PubChem CID11970420
Molecular FormulaC10H24ClN5
Molecular Weight249.79 g/mol
Exact Mass249.17
IUPAC Name1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride
SMILESCCCCC(CC)C/N=C(\N)N=C(N)N.Cl
InChIInChI=1S/C10H23N5.ClH/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12;/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15);1H
InChIKeyDXSBUCPFFVHNST-UHFFFAOYSA-N
XLogP1.21
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 51.21
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-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride (CID 11970420) is 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride is CCCCC(CC)C/N=C(\N)N=C(N)N.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride?
The InChIKey is DXSBUCPFFVHNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5.ClH/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12;/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15);1H.
What are the key properties of 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine;hydrochloride is sourced from PubChem (CID 11970420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).