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

C12H26N2O2 — CID 106821943

IUPAC1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
SMILESCCN(C(C)COC)C1(CN)CC(OC)C1
InChIInChI=1S/C12H26N2O2/c1-5-14(10(2)8-15-3)12(9-13)6-11(7-12)16-4/h10-11H,5-9,13H2,1-4H3
InChIKeyLLABDBCBUKGBQW-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds7

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

1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine (PubChem CID 106821943) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
PubChem CID106821943
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
SMILESCCN(C(C)COC)C1(CN)CC(OC)C1
InChIInChI=1S/C12H26N2O2/c1-5-14(10(2)8-15-3)12(9-13)6-11(7-12)16-4/h10-11H,5-9,13H2,1-4H3
InChIKeyLLABDBCBUKGBQW-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821942
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopentan-1-amine
CID 64502008
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-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321382
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,2,5-trimethylcyclohexan-1-amine
CID 64762162
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylcyclohexan-1-amine
CID 61453024
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 54947055

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine (CID 106821943) is 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine is CCN(C(C)COC)C1(CN)CC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine?
The InChIKey is LLABDBCBUKGBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-14(10(2)8-15-3)12(9-13)6-11(7-12)16-4/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine?
1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 106821943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).