N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine

C18H27N7 — CID 66685713

IUPACN-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CN(Cc1ncn[nH]1)Cn1nnc2ccccc21
InChIInChI=1S/C18H27N7/c1-3-5-8-15(4-2)11-24(12-18-19-13-20-22-18)14-25-17-10-7-6-9-16(17)21-23-25/h6-7,9-10,13,15H,3-5,8,11-12,14H2,1-2H3,(H,19,20,22)
InChIKeyCPCUMWVYAVBYAW-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.23
Rot. Bonds10

About N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine

N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine (PubChem CID 66685713) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine
PubChem CID66685713
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC NameN-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CN(Cc1ncn[nH]1)Cn1nnc2ccccc21
InChIInChI=1S/C18H27N7/c1-3-5-8-15(4-2)11-24(12-18-19-13-20-22-18)14-25-17-10-7-6-9-16(17)21-23-25/h6-7,9-10,13,15H,3-5,8,11-12,14H2,1-2H3,(H,19,20,22)
InChIKeyCPCUMWVYAVBYAW-UHFFFAOYSA-N
XLogP3.23
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
CID 57277872
1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
CID 22217665
2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 157371525
1-tridecylbenzotriazole
CID 21059042
1-(butylselanylmethyl)benzotriazole
CID 10635572
silver 1-octylbenzotriazole
CID 19818350
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
(3R)-N-[(2S)-2-ethylhexyl]-N-[(4-methylbenzotriazol-1-yl)methyl]octan-3-amine
CID 100913241
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816
N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
CID 63486504
N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline
CID 155230047

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine (CID 66685713) is N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine is CCCCC(CC)CN(Cc1ncn[nH]1)Cn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine?
The InChIKey is CPCUMWVYAVBYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-3-5-8-15(4-2)11-24(12-18-19-13-20-22-18)14-25-17-10-7-6-9-16(17)21-23-25/h6-7,9-10,13,15H,3-5,8,11-12,14H2,1-2H3,(H,19,20,22).
What are the key properties of N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine?
N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine has a molecular weight of 341.46 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine is sourced from PubChem (CID 66685713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).