1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine

C13H28N2O2 — CID 106821942

IUPAC1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
SMILESCCOC1CC(CN)(N(CC)C(C)COC)C1
InChIInChI=1S/C13H28N2O2/c1-5-15(11(3)9-16-4)13(10-14)7-12(8-13)17-6-2/h11-12H,5-10,14H2,1-4H3
InChIKeySCQHXJMTSWZVRF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.24
Rot. Bonds8

About 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine

1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine (PubChem CID 106821942) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
PubChem CID106821942
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
SMILESCCOC1CC(CN)(N(CC)C(C)COC)C1
InChIInChI=1S/C13H28N2O2/c1-5-15(11(3)9-16-4)13(10-14)7-12(8-13)17-6-2/h11-12H,5-10,14H2,1-4H3
InChIKeySCQHXJMTSWZVRF-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine 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

1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821943
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopentan-1-amine
CID 64502008
1-(aminomethyl)-3-ethoxy-N-ethyl-N-methylcyclobutan-1-amine
CID 106821743
1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine
CID 106821919
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449052
4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
CID 55011698
2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine
CID 55011209
3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine
CID 62976391
4-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1-propylpiperidin-4-amine
CID 55010968
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704477
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428982
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321382

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine (CID 106821942) is 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine is CCOC1CC(CN)(N(CC)C(C)COC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine?
The InChIKey is SCQHXJMTSWZVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-15(11(3)9-16-4)13(10-14)7-12(8-13)17-6-2/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine?
1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 106821942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).