N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride

C12H28Cl2N6 — CID 19917315

IUPACN,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride
SMILESC/N=C(\NC)C(C)(C)/N=N/C(C)(C)/C(=N/C)NC.Cl.Cl
InChIInChI=1S/C12H26N6.2ClH/c1-11(2,9(13-5)14-6)17-18-12(3,4)10(15-7)16-8;;/h1-8H3,(H,13,14)(H,15,16);2*1H/b18-17+;;
InChIKeyYQRYDMKHTCFRPT-QIKYXUGXSA-N
MW327.30 g/mol
LogP2.33
Rot. Bonds4

About N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride

N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride (PubChem CID 19917315) has the molecular formula C12H28Cl2N6 and a molecular weight of 327.30 g/mol. Its IUPAC name is N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride.

Molecular Properties

Compound NameN,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride
PubChem CID19917315
Molecular FormulaC12H28Cl2N6
Molecular Weight327.30 g/mol
Exact Mass326.18
IUPAC NameN,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride
SMILESC/N=C(\NC)C(C)(C)/N=N/C(C)(C)/C(=N/C)NC.Cl.Cl
InChIInChI=1S/C12H26N6.2ClH/c1-11(2,9(13-5)14-6)17-18-12(3,4)10(15-7)16-8;;/h1-8H3,(H,13,14)(H,15,16);2*1H/b18-17+;;
InChIKeyYQRYDMKHTCFRPT-QIKYXUGXSA-N
XLogP2.33
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide
CID 18323527
N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide
CID 91278102
N-cyano-N',2,2-trimethylpropanimidamide
CID 59465497
N',2,2-trimethyl-N-phosphanylpropanimidamide
CID 166726480
N,N'-dimethylcarbamimidoyl chloride;hydrochloride
CID 14852963
N,N'-dimethylcarbamimidothioate;yttrium(3+)
CID 21356879
N-(ethylamino)-N',2,2-trimethylpropanimidamide
CID 146267713
1-amino-2,3-dimethylguanidine;hydrochloride
CID 14852961
N,N'-dimethylethanimidamide;ethane
CID 176553571
copper;1,1,2,3-tetramethylguanidine;hydrochloride
CID 175414333
N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide
CID 141001647
2,2,2-trifluoroethyl N,N'-dimethylcarbamimidate
CID 167095333

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride?
The IUPAC name of N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride (CID 19917315) is N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride.
What is the SMILES notation for N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride?
The canonical SMILES for N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride is C/N=C(\NC)C(C)(C)/N=N/C(C)(C)/C(=N/C)NC.Cl.Cl.
What is the InChIKey of N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride?
The InChIKey is YQRYDMKHTCFRPT-QIKYXUGXSA-N. The full InChI is InChI=1S/C12H26N6.2ClH/c1-11(2,9(13-5)14-6)17-18-12(3,4)10(15-7)16-8;;/h1-8H3,(H,13,14)(H,15,16);2*1H/b18-17+;;.
What are the key properties of N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride?
N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride has a molecular weight of 327.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride is sourced from PubChem (CID 19917315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).