N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine

C13H20N4 — CID 67606886

IUPACN-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cccc2n[nH]nc12
InChIInChI=1S/C13H20N4/c1-3-8-17(9-4-2)10-11-6-5-7-12-13(11)15-16-14-12/h5-7H,3-4,8-10H2,1-2H3,(H,14,15,16)
InChIKeyBVBATLGCUQYWGR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.58
Rot. Bonds6

About N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine

N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine (PubChem CID 67606886) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine
PubChem CID67606886
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cccc2n[nH]nc12
InChIInChI=1S/C13H20N4/c1-3-8-17(9-4-2)10-11-6-5-7-12-13(11)15-16-14-12/h5-7H,3-4,8-10H2,1-2H3,(H,14,15,16)
InChIKeyBVBATLGCUQYWGR-UHFFFAOYSA-N
XLogP2.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-1H-benzotriazole
CID 8705
4-Methyl-1H-benzotriazole
CID 122499
Sodium tolyltriazole
CID 23687327
4-methyl-1H-1,2,3-benzotriazole; 6-methyl-1H-1,2,3-benzotriazole
CID 44630380
1-(N,N-Bis(2-ethylhexyl)aminomethyl)methylbenzotriazole
CID 3036907
5-Butylbenzotriazole
CID 20043962
2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 886736
5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole
CID 10042602
5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1H-benzotriazole
CID 10640185
5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-benzotriazole
CID 10736249
1H-Benzotriazole, C-chloro-C-methyl-
CID 73557373
5-methyl-1H-1,2,3-benzotriazol-4-amine
CID 15122285

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine?
The IUPAC name of N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine (CID 67606886) is N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine.
What is the SMILES notation for N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine?
The canonical SMILES for N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine is CCCN(CCC)Cc1cccc2n[nH]nc12.
What is the InChIKey of N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine?
The InChIKey is BVBATLGCUQYWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-8-17(9-4-2)10-11-6-5-7-12-13(11)15-16-14-12/h5-7H,3-4,8-10H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine?
N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-ylmethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 67606886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).