N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine

C19H18N4 — CID 3523025

IUPACN-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine
SMILESCCN(Cn1nnc2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C19H18N4/c1-2-22(14-23-19-12-6-5-11-17(19)20-21-23)18-13-7-9-15-8-3-4-10-16(15)18/h3-13H,2,14H2,1H3
InChIKeyYKUHURWBYQCCMN-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.07
Rot. Bonds4

About N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine

N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine (PubChem CID 3523025) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine
PubChem CID3523025
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC NameN-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine
SMILESCCN(Cn1nnc2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C19H18N4/c1-2-22(14-23-19-12-6-5-11-17(19)20-21-23)18-13-7-9-15-8-3-4-10-16(15)18/h3-13H,2,14H2,1H3
InChIKeyYKUHURWBYQCCMN-UHFFFAOYSA-N
XLogP4.07
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(benzotriazol-1-ylmethyl)-4-bromoaniline
CID 118530723
2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 157371525
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545928
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
CID 3575493
3-[N-(benzotriazol-1-ylmethyl)anilino]propanenitrile
CID 3106035
N-(benzotriazol-1-ylmethyl)-N-butyl-3-nitroaniline
CID 4667559
(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
CID 1240078
1-tridecylbenzotriazole
CID 21059042
1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3662418

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine (CID 3523025) is N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine is CCN(Cn1nnc2ccccc21)c1cccc2ccccc12.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine?
The InChIKey is YKUHURWBYQCCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-2-22(14-23-19-12-6-5-11-17(19)20-21-23)18-13-7-9-15-8-3-4-10-16(15)18/h3-13H,2,14H2,1H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine?
N-(benzotriazol-1-ylmethyl)-N-ethylnaphthalen-1-amine has a molecular weight of 302.38 g/mol, XLogP of 4.07, 4 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-ethylnaphthalen-1-amine is sourced from PubChem (CID 3523025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).