N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline

C17H20N4 — CID 3575493

IUPACN-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
SMILESCC(C)(C)N(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C17H20N4/c1-17(2,3)20(14-9-5-4-6-10-14)13-21-16-12-8-7-11-15(16)18-19-21/h4-12H,13H2,1-3H3
InChIKeyMNUVABBVYYPNDC-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.69
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline

N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline (PubChem CID 3575493) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
PubChem CID3575493
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
SMILESCC(C)(C)N(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C17H20N4/c1-17(2,3)20(14-9-5-4-6-10-14)13-21-16-12-8-7-11-15(16)18-19-21/h4-12H,13H2,1-3H3
InChIKeyMNUVABBVYYPNDC-UHFFFAOYSA-N
XLogP3.69
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzotriazol-1-ylmethyl)-N-phenylnitrous amide
CID 3775401
3-[N-(benzotriazol-1-ylmethyl)anilino]propanenitrile
CID 3106035
2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 157371525
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide
CID 4312040
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816
N,N-bis(benzotriazol-1-ylmethyl)-4-bromoaniline
CID 118530723
N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide
CID 3839105
N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline
CID 155230047
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
1-(benzotriazol-1-yl)-2-methylbutan-2-ol
CID 15881476
1-(benzotriazol-1-yl)-N-methoxymethanamine
CID 130251887

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline (CID 3575493) is N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline is CC(C)(C)N(Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline?
The InChIKey is MNUVABBVYYPNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-17(2,3)20(14-9-5-4-6-10-14)13-21-16-12-8-7-11-15(16)18-19-21/h4-12H,13H2,1-3H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline?
N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline has a molecular weight of 280.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline is sourced from PubChem (CID 3575493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).