1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine

C12H19N5 — CID 70885057

IUPAC1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
SMILESCN(C)C(C)(N(C)C)n1nnc2ccccc21
InChIInChI=1S/C12H19N5/c1-12(15(2)3,16(4)5)17-11-9-7-6-8-10(11)13-14-17/h6-9H,1-5H3
InChIKeyTVBSDOYAFKELTP-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.18
Rot. Bonds3

About 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine

1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine (PubChem CID 70885057) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
PubChem CID70885057
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
SMILESCN(C)C(C)(N(C)C)n1nnc2ccccc21
InChIInChI=1S/C12H19N5/c1-12(15(2)3,16(4)5)17-11-9-7-6-8-10(11)13-14-17/h6-9H,1-5H3
InChIKeyTVBSDOYAFKELTP-UHFFFAOYSA-N
XLogP1.18
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine
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1-(3-methyl-2-phenylsulfanylbutan-2-yl)benzotriazole
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benzotriazol-1-yl(trimethyl)stannane
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2-(benzotriazol-1-yl)-2-methylpentanoic acid
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2-(benzotriazol-1-yl)-2-ethylbutanoic acid
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CID 146336808

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine?
The IUPAC name of 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine (CID 70885057) is 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine.
What is the SMILES notation for 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine?
The canonical SMILES for 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine is CN(C)C(C)(N(C)C)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine?
The InChIKey is TVBSDOYAFKELTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-12(15(2)3,16(4)5)17-11-9-7-6-8-10(11)13-14-17/h6-9H,1-5H3.
What are the key properties of 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine?
1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine is sourced from PubChem (CID 70885057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).