N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

C16H28N4O — CID 65168112

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2nnc3n2CCC3)C1(C)CC
InChIInChI=1S/C16H28N4O/c1-5-16(4)12(10-13(16)21-6-2)17-11(3)15-19-18-14-8-7-9-20(14)15/h11-13,17H,5-10H2,1-4H3
InChIKeySHXZSALOMORUDQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.47
Rot. Bonds6

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 65168112) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID65168112
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2nnc3n2CCC3)C1(C)CC
InChIInChI=1S/C16H28N4O/c1-5-16(4)12(10-13(16)21-6-2)17-11(3)15-19-18-14-8-7-9-20(14)15/h11-13,17H,5-10H2,1-4H3
InChIKeySHXZSALOMORUDQ-UHFFFAOYSA-N
XLogP2.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine with MolForge

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Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
CID 65167987
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173
3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 65167752
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethylcyclopentan-1-amine
CID 64502142
3-ethoxy-N-(1-ethoxypropan-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65169280
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167622
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentan-3-amine
CID 43748148
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
CID 65167647
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43748131

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (CID 65168112) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is CCOC1CC(NC(C)c2nnc3n2CCC3)C1(C)CC.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is SHXZSALOMORUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-16(4)12(10-13(16)21-6-2)17-11(3)15-19-18-14-8-7-9-20(14)15/h11-13,17H,5-10H2,1-4H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65168112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).