1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

C13H26N2O2 — CID 106822338

IUPAC1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1(CN)CC(OCC)C1
InChIInChI=1S/C13H26N2O2/c1-4-17-12-7-13(8-12,10-14)15-5-6-16-9-11(2)3/h12,15H,2,4-10,14H2,1,3H3
InChIKeyQRKPNJZOKOTVMZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.07
Rot. Bonds9

About 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (PubChem CID 106822338) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
PubChem CID106822338
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1(CN)CC(OCC)C1
InChIInChI=1S/C13H26N2O2/c1-4-17-12-7-13(8-12,10-14)15-5-6-16-9-11(2)3/h12,15H,2,4-10,14H2,1,3H3
InChIKeyQRKPNJZOKOTVMZ-UHFFFAOYSA-N
XLogP1.07
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 104871908
4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 106675828
1-(aminomethyl)-3-ethoxy-N-(2-methoxyethyl)cyclobutan-1-amine
CID 106822004
1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine
CID 106822005
1-(aminomethyl)-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 106822339
1-(aminomethyl)-3-ethoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
CID 106822346
1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
CID 106822347
1-(aminomethyl)-3-ethoxy-N-(2-methoxypropyl)cyclobutan-1-amine
CID 106822352
1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclobutan-1-amine
CID 106822353
2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466162
4-(aminomethyl)-2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466181

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (CID 106822338) is 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is C=C(C)COCCNC1(CN)CC(OCC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The InChIKey is QRKPNJZOKOTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-12-7-13(8-12,10-14)15-5-6-16-9-11(2)3/h12,15H,2,4-10,14H2,1,3H3.
What are the key properties of 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106822338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).