N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline

C19H29N5O — CID 132971652

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccccc2NCc2cn(C(C)(C)C)nn2)CC(C)O1
InChIInChI=1S/C19H29N5O/c1-14-11-23(12-15(2)25-14)18-9-7-6-8-17(18)20-10-16-13-24(22-21-16)19(3,4)5/h6-9,13-15,20H,10-12H2,1-5H3
InChIKeySETCOUOJAQLCHD-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.26
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline

N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline (PubChem CID 132971652) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline
PubChem CID132971652
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccccc2NCc2cn(C(C)(C)C)nn2)CC(C)O1
InChIInChI=1S/C19H29N5O/c1-14-11-23(12-15(2)25-14)18-9-7-6-8-17(18)20-10-16-13-24(22-21-16)19(3,4)5/h6-9,13-15,20H,10-12H2,1-5H3
InChIKeySETCOUOJAQLCHD-UHFFFAOYSA-N
XLogP3.26
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline (CID 132971652) is N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline is CC1CN(c2ccccc2NCc2cn(C(C)(C)C)nn2)CC(C)O1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline?
The InChIKey is SETCOUOJAQLCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14-11-23(12-15(2)25-14)18-9-7-6-8-17(18)20-10-16-13-24(22-21-16)19(3,4)5/h6-9,13-15,20H,10-12H2,1-5H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline?
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline has a molecular weight of 343.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)aniline is sourced from PubChem (CID 132971652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).