N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C12H22N4O — CID 116714430

IUPACN-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)C1(OC)CCC1
InChIInChI=1S/C12H22N4O/c1-4-13-10(12(17-3)6-5-7-12)8-11-14-9-15-16(11)2/h9-10,13H,4-8H2,1-3H3
InChIKeyMDYHNZSUGCEVFT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds6

About N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 116714430) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID116714430
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)C1(OC)CCC1
InChIInChI=1S/C12H22N4O/c1-4-13-10(12(17-3)6-5-7-12)8-11-14-9-15-16(11)2/h9-10,13H,4-8H2,1-3H3
InChIKeyMDYHNZSUGCEVFT-UHFFFAOYSA-N
XLogP0.90
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168
1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116761834
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277070
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714555
N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116714664
N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 116754998
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657
4-[2-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]pyridin-2-amine
CID 116714708
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710450
1-N,1-N,3-N-triethyl-4-(2-methyl-1,2,4-triazol-3-yl)butane-1,3-diamine
CID 79086953
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 116714430) is N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1C)C1(OC)CCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is MDYHNZSUGCEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-13-10(12(17-3)6-5-7-12)8-11-14-9-15-16(11)2/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 116714430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).