1-(benzotriazol-1-yl)-N-dodecylmethanimine

C19H30N4 — CID 175138281

IUPAC1-(benzotriazol-1-yl)-N-dodecylmethanimine
SMILESCCCCCCCCCCCC/N=C/n1nnc2ccccc21
InChIInChI=1S/C19H30N4/c1-2-3-4-5-6-7-8-9-10-13-16-20-17-23-19-15-12-11-14-18(19)21-22-23/h11-12,14-15,17H,2-10,13,16H2,1H3/b20-17+
InChIKeyQPXMJUHWNBDOIO-LVZFUZTISA-N
MW314.48 g/mol
LogP5.23
Rot. Bonds12

About 1-(benzotriazol-1-yl)-N-dodecylmethanimine

1-(benzotriazol-1-yl)-N-dodecylmethanimine (PubChem CID 175138281) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-N-dodecylmethanimine.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-N-dodecylmethanimine
PubChem CID175138281
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name1-(benzotriazol-1-yl)-N-dodecylmethanimine
SMILESCCCCCCCCCCCC/N=C/n1nnc2ccccc21
InChIInChI=1S/C19H30N4/c1-2-3-4-5-6-7-8-9-10-13-16-20-17-23-19-15-12-11-14-18(19)21-22-23/h11-12,14-15,17H,2-10,13,16H2,1H3/b20-17+
InChIKeyQPXMJUHWNBDOIO-LVZFUZTISA-N
XLogP5.23
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(benzotriazol-1-yl)-N-hexadecylethanimine
CID 175138278
1-(2-butylsulfanylnon-1-enyl)benzotriazole
CID 3334308
1-tridecylbenzotriazole
CID 21059042
silver 1-octylbenzotriazole
CID 19818350
1-(1-chlorododecyl)benzotriazole
CID 4561404
N'-hexylmethanediimine;1-hydroxybenzotriazole
CID 159248094
1-(8-ethenylpentadecan-8-yl)benzotriazole
CID 5197931
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
acetic acid;1-octylbenzotriazole
CID 175150004
N-[1-(benzotriazol-1-yl)ethyl]-N-dodecyldodecan-1-amine
CID 67608822
1-(1-ethoxyoctyl)benzotriazole
CID 169096001
(Z)-2-(benzotriazol-1-yl)oct-2-enenitrile
CID 126613436

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-N-dodecylmethanimine?
The IUPAC name of 1-(benzotriazol-1-yl)-N-dodecylmethanimine (CID 175138281) is 1-(benzotriazol-1-yl)-N-dodecylmethanimine.
What is the SMILES notation for 1-(benzotriazol-1-yl)-N-dodecylmethanimine?
The canonical SMILES for 1-(benzotriazol-1-yl)-N-dodecylmethanimine is CCCCCCCCCCCC/N=C/n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-N-dodecylmethanimine?
The InChIKey is QPXMJUHWNBDOIO-LVZFUZTISA-N. The full InChI is InChI=1S/C19H30N4/c1-2-3-4-5-6-7-8-9-10-13-16-20-17-23-19-15-12-11-14-18(19)21-22-23/h11-12,14-15,17H,2-10,13,16H2,1H3/b20-17+.
What are the key properties of 1-(benzotriazol-1-yl)-N-dodecylmethanimine?
1-(benzotriazol-1-yl)-N-dodecylmethanimine has a molecular weight of 314.48 g/mol, XLogP of 5.23, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-N-dodecylmethanimine is sourced from PubChem (CID 175138281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).