2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride

C16H36Cl2N6 — CID 88682849

IUPAC2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N(CC)CC)C(C)(C)/N=N/C(C)(C)/C(=N/[H])N(CC)CC
InChIInChI=1S/C16H34N6.2ClH/c1-9-21(10-2)13(17)15(5,6)19-20-16(7,8)14(18)22(11-3)12-4;;/h17-18H,9-12H2,1-8H3;2*1H/b17-13-,18-14-,20-19+;;
InChIKeyCRNCJFPDKIKTCP-YYSBPJOASA-N
MW383.41 g/mol
LogP4.48
Rot. Bonds8

About 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride

2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride (PubChem CID 88682849) has the molecular formula C16H36Cl2N6 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride.

Molecular Properties

Compound Name2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride
PubChem CID88682849
Molecular FormulaC16H36Cl2N6
Molecular Weight383.41 g/mol
Exact Mass382.24
IUPAC Name2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N(CC)CC)C(C)(C)/N=N/C(C)(C)/C(=N/[H])N(CC)CC
InChIInChI=1S/C16H34N6.2ClH/c1-9-21(10-2)13(17)15(5,6)19-20-16(7,8)14(18)22(11-3)12-4;;/h17-18H,9-12H2,1-8H3;2*1H/b17-13-,18-14-,20-19+;;
InChIKeyCRNCJFPDKIKTCP-YYSBPJOASA-N
XLogP4.48
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.48
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-dibutyl-2,2-dimethylpropanimidamide
CID 63175509
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
CID 63176137
3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine
CID 176521202
N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride
CID 175258009
N,2,2-trimethyl-N-pentan-3-ylpropanimidamide
CID 63175548
N,N-diethyl-2-methoxypropanimidamide
CID 79605131
(propan-2-ylideneamino) N,N-diethylcarbamimidate
CID 12997851
2-ethyl-N,N,2,4,5-pentamethylhexanimidamide
CID 123958518
3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76919969
N-(2,2-dimethylpropyl)-N-methylpropanimidamide
CID 63177754
3-(diaminomethylidene)-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 83031652

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride?
The IUPAC name of 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride (CID 88682849) is 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride.
What is the SMILES notation for 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride?
The canonical SMILES for 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N(CC)CC)C(C)(C)/N=N/C(C)(C)/C(=N/[H])N(CC)CC.
What is the InChIKey of 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride?
The InChIKey is CRNCJFPDKIKTCP-YYSBPJOASA-N. The full InChI is InChI=1S/C16H34N6.2ClH/c1-9-21(10-2)13(17)15(5,6)19-20-16(7,8)14(18)22(11-3)12-4;;/h17-18H,9-12H2,1-8H3;2*1H/b17-13-,18-14-,20-19+;;.
What are the key properties of 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride?
2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride has a molecular weight of 383.41 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride is sourced from PubChem (CID 88682849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).