1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine

C13H28N2O — CID 79842516

IUPAC1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine
SMILESCCC(C)N(CCOC)CCC1(N)CCC1
InChIInChI=1S/C13H28N2O/c1-4-12(2)15(10-11-16-3)9-8-13(14)6-5-7-13/h12H,4-11,14H2,1-3H3
InChIKeyBCFCKLINIPMIOI-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds8

About 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine

1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine (PubChem CID 79842516) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine
PubChem CID79842516
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine
SMILESCCC(C)N(CCOC)CCC1(N)CCC1
InChIInChI=1S/C13H28N2O/c1-4-12(2)15(10-11-16-3)9-8-13(14)6-5-7-13/h12H,4-11,14H2,1-3H3
InChIKeyBCFCKLINIPMIOI-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine (CID 79842516) is 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine is CCC(C)N(CCOC)CCC1(N)CCC1.
What is the InChIKey of 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine?
The InChIKey is BCFCKLINIPMIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12(2)15(10-11-16-3)9-8-13(14)6-5-7-13/h12H,4-11,14H2,1-3H3.
What are the key properties of 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine?
1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79842516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).