1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride

C18H40Cl2N4 — CID 24740417

IUPAC1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(/CCCCCCCCCCCC/C(=N\[H])N(C)C)N(C)C
InChIInChI=1S/C18H38N4.2ClH/c1-21(2)17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(20)22(3)4;;/h19-20H,5-16H2,1-4H3;2*1H/b19-17-,20-18+;;
InChIKeyZCHYZAHYZMULSL-IILAXKDUSA-N
MW383.45 g/mol
LogP5.59
Rot. Bonds13

About 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride

1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride (PubChem CID 24740417) has the molecular formula C18H40Cl2N4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride.

Molecular Properties

Compound Name1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride
PubChem CID24740417
Molecular FormulaC18H40Cl2N4
Molecular Weight383.45 g/mol
Exact Mass382.26
IUPAC Name1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(/CCCCCCCCCCCC/C(=N\[H])N(C)C)N(C)C
InChIInChI=1S/C18H38N4.2ClH/c1-21(2)17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(20)22(3)4;;/h19-20H,5-16H2,1-4H3;2*1H/b19-17-,20-18+;;
InChIKeyZCHYZAHYZMULSL-IILAXKDUSA-N
XLogP5.59
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N,N-dimethyloctanimidamide
CID 154330119
3-N,3-N-dimethylpropanediimidamide
CID 58160656
N-butyl-N-ethylhexanimidamide;propane
CID 155716636
octadecanediimidamide;dihydrochloride
CID 24741615
N,N-dimethyl-2-piperidin-1-ylethanimidamide
CID 126985949
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
CID 142083540
4-imino-N,N-dimethylpentan-1-amine;uranium
CID 159962032
N,N-dibutylbutanimidamide
CID 63175446
N-amino-N-methylpropanimidamide
CID 123454598
N,N-dimethyl-2-(2-methylphenyl)ethanimidamide
CID 63179558
2-(4-fluorophenyl)-N,N-dimethylethanimidamide
CID 63182016
2-cyclopentylsulfanyl-N,N-dimethylethanimidamide
CID 65140702

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride?
The IUPAC name of 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride (CID 24740417) is 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride.
What is the SMILES notation for 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride?
The canonical SMILES for 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride is Cl.Cl.[H]/N=C(/CCCCCCCCCCCC/C(=N\[H])N(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride?
The InChIKey is ZCHYZAHYZMULSL-IILAXKDUSA-N. The full InChI is InChI=1S/C18H38N4.2ClH/c1-21(2)17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(20)22(3)4;;/h19-20H,5-16H2,1-4H3;2*1H/b19-17-,20-18+;;.
What are the key properties of 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride?
1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride has a molecular weight of 383.45 g/mol, XLogP of 5.59, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,14-N,14-N-tetramethyltetradecanediimidamide;dihydrochloride is sourced from PubChem (CID 24740417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).