2-ethylpropanediimidamide;dihydrochloride

C5H14Cl2N4 — CID 87175836

IUPAC2-ethylpropanediimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(CC)/C(N)=N/[H]
InChIInChI=1S/C5H12N4.2ClH/c1-2-3(4(6)7)5(8)9;;/h3H,2H2,1H3,(H3,6,7)(H3,8,9);2*1H
InChIKeyYRCSSMULJYMDCA-UHFFFAOYSA-N
MW201.10 g/mol
LogP0.73
Rot. Bonds3

About 2-ethylpropanediimidamide;dihydrochloride

2-ethylpropanediimidamide;dihydrochloride (PubChem CID 87175836) has the molecular formula C5H14Cl2N4 and a molecular weight of 201.10 g/mol. Its IUPAC name is 2-ethylpropanediimidamide;dihydrochloride.

Molecular Properties

Compound Name2-ethylpropanediimidamide;dihydrochloride
PubChem CID87175836
Molecular FormulaC5H14Cl2N4
Molecular Weight201.10 g/mol
Exact Mass200.06
IUPAC Name2-ethylpropanediimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(CC)/C(N)=N/[H]
InChIInChI=1S/C5H12N4.2ClH/c1-2-3(4(6)7)5(8)9;;/h3H,2H2,1H3,(H3,6,7)(H3,8,9);2*1H
InChIKeyYRCSSMULJYMDCA-UHFFFAOYSA-N
XLogP0.73
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 50.73
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

2-methylpropanimidamide;hydrochloride
CID 2782053
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
3-amino-2-[[(3-amino-2-carboxy-3-iminopropyl)diazenyl]methyl]-3-iminopropanoic acid;hydrochloride
CID 87498740
2,3,4,5-tetrahydroxyheptanimidamide
CID 163818041
2-carbamimidoyl-N-[(1R)-1-phenylpropyl]butanamide
CID 165438324
2-ethylbutanimidate;hydrochloride
CID 19082418
(2R)-2-pyrrolidin-1-ylbutanimidamide
CID 156896295
ethyl 5-amino-2-carbamimidoyl-5-iminopentanoate
CID 141469692
(3-amino-2-carbamimidoyl-3-iminopropyl)carbamic acid
CID 141220669
2-(2-methylbutylsulfanyl)butanimidamide
CID 107750310
2-(aminomethyl)-3-hydroxypropanimidamide
CID 139844010
3-ethylpentan-2-imine
CID 91583168

Frequently Asked Questions

What is the IUPAC name of 2-ethylpropanediimidamide;dihydrochloride?
The IUPAC name of 2-ethylpropanediimidamide;dihydrochloride (CID 87175836) is 2-ethylpropanediimidamide;dihydrochloride.
What is the SMILES notation for 2-ethylpropanediimidamide;dihydrochloride?
The canonical SMILES for 2-ethylpropanediimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)C(CC)/C(N)=N/[H].
What is the InChIKey of 2-ethylpropanediimidamide;dihydrochloride?
The InChIKey is YRCSSMULJYMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4.2ClH/c1-2-3(4(6)7)5(8)9;;/h3H,2H2,1H3,(H3,6,7)(H3,8,9);2*1H.
What are the key properties of 2-ethylpropanediimidamide;dihydrochloride?
2-ethylpropanediimidamide;dihydrochloride has a molecular weight of 201.10 g/mol, XLogP of 0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpropanediimidamide;dihydrochloride is sourced from PubChem (CID 87175836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).