1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine

C11H22N2O — CID 106822346

IUPAC1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
SMILESC=C(C)CNC1(CN)CC(OCC)C1
InChIInChI=1S/C11H22N2O/c1-4-14-10-5-11(6-10,8-12)13-7-9(2)3/h10,13H,2,4-8,12H2,1,3H3
InChIKeyFMBLVLBNIUFRDT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.05
Rot. Bonds6

About 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine

1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine (PubChem CID 106822346) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
PubChem CID106822346
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
SMILESC=C(C)CNC1(CN)CC(OCC)C1
InChIInChI=1S/C11H22N2O/c1-4-14-10-5-11(6-10,8-12)13-7-9(2)3/h10,13H,2,4-8,12H2,1,3H3
InChIKeyFMBLVLBNIUFRDT-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Butoxy-1-(methylaminomethyl)cyclobutan-1-amine
CID 90323044
1-(aminomethyl)-3-butoxy-N-ethylcyclobutan-1-amine
CID 90327518
3-Butoxy-1-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 90327586
1-(aminomethyl)-3-ethoxy-N-methylcyclobutan-1-amine
CID 106821982
1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine
CID 106821984
1-(aminomethyl)-N-ethyl-3-methoxycyclobutan-1-amine
CID 106821985
1-(aminomethyl)-3-ethoxy-N-propylcyclobutan-1-amine
CID 106821986
1-(aminomethyl)-3-methoxy-N-propylcyclobutan-1-amine
CID 106821987
1-(aminomethyl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine
CID 106821988
1-(aminomethyl)-3-methoxy-N-propan-2-ylcyclobutan-1-amine
CID 106821989
1-(aminomethyl)-3-ethoxy-N-prop-2-enylcyclobutan-1-amine
CID 106822130
1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine
CID 106822131

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine (CID 106822346) is 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine is C=C(C)CNC1(CN)CC(OCC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
The InChIKey is FMBLVLBNIUFRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-14-10-5-11(6-10,8-12)13-7-9(2)3/h10,13H,2,4-8,12H2,1,3H3.
What are the key properties of 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 106822346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).