2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine

C24H42N4 — CID 3036907

IUPAC2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CN(CC(CC)CCCC)Cn1nnc2c(C)cccc21
InChIInChI=1S/C24H42N4/c1-6-10-14-21(8-3)17-27(18-22(9-4)15-11-7-2)19-28-23-16-12-13-20(5)24(23)25-26-28/h12-13,16,21-22H,6-11,14-15,17-19H2,1-5H3
InChIKeyDHTAIMJOUCYGOL-UHFFFAOYSA-N
MW386.63 g/mol
LogP6.43
Rot. Bonds14

About 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine

2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine (PubChem CID 3036907) has the molecular formula C24H42N4 and a molecular weight of 386.63 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine
PubChem CID3036907
Molecular FormulaC24H42N4
Molecular Weight386.63 g/mol
Exact Mass386.34
IUPAC Name2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CN(CC(CC)CCCC)Cn1nnc2c(C)cccc21
InChIInChI=1S/C24H42N4/c1-6-10-14-21(8-3)17-27(18-22(9-4)15-11-7-2)19-28-23-16-12-13-20(5)24(23)25-26-28/h12-13,16,21-22H,6-11,14-15,17-19H2,1-5H3
InChIKeyDHTAIMJOUCYGOL-UHFFFAOYSA-N
XLogP6.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.63
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine (CID 3036907) is 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine is CCCCC(CC)CN(CC(CC)CCCC)Cn1nnc2c(C)cccc21.
What is the InChIKey of 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine?
The InChIKey is DHTAIMJOUCYGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4/c1-6-10-14-21(8-3)17-27(18-22(9-4)15-11-7-2)19-28-23-16-12-13-20(5)24(23)25-26-28/h12-13,16,21-22H,6-11,14-15,17-19H2,1-5H3.
What are the key properties of 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine?
2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine has a molecular weight of 386.63 g/mol, XLogP of 6.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylhexyl)-N-[(4-methylbenzotriazol-1-yl)methyl]hexan-1-amine is sourced from PubChem (CID 3036907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).