tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate

C14H27N5O3 — CID 103880918

IUPACtert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate
SMILESCOCCN(CCNCc1cn(C)nn1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N5O3/c1-14(2,3)22-13(20)19(8-9-21-5)7-6-15-10-12-11-18(4)17-16-12/h11,15H,6-10H2,1-5H3
InChIKeyNVAIXDRYAHCRTA-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.79
Rot. Bonds8

About tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate

tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate (PubChem CID 103880918) has the molecular formula C14H27N5O3 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate
PubChem CID103880918
Molecular FormulaC14H27N5O3
Molecular Weight313.40 g/mol
Exact Mass313.21
IUPAC Nametert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate
SMILESCOCCN(CCNCc1cn(C)nn1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N5O3/c1-14(2,3)22-13(20)19(8-9-21-5)7-6-15-10-12-11-18(4)17-16-12/h11,15H,6-10H2,1-5H3
InChIKeyNVAIXDRYAHCRTA-UHFFFAOYSA-N
XLogP0.79
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-ethyl-N-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]ethyl]carbamate
CID 107245523
tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107257008
3-[(1-methyltriazol-4-yl)methylamino]propanamide
CID 62755404
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate
CID 156839844
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743
tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107256930
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]acetamide
CID 62757210
tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 103906265
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62757060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate (CID 103880918) is tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate is COCCN(CCNCc1cn(C)nn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate?
The InChIKey is NVAIXDRYAHCRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3/c1-14(2,3)22-13(20)19(8-9-21-5)7-6-15-10-12-11-18(4)17-16-12/h11,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate?
tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 103880918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).