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

C12H26N2 — CID 79842033

IUPAC1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine
SMILESCCC(C)N(CC)CCC1(N)CCC1
InChIInChI=1S/C12H26N2/c1-4-11(3)14(5-2)10-9-12(13)7-6-8-12/h11H,4-10,13H2,1-3H3
InChIKeyHIBAXHSEKOEUAH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds6

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

1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine (PubChem CID 79842033) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine
PubChem CID79842033
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine
SMILESCCC(C)N(CC)CCC1(N)CCC1
InChIInChI=1S/C12H26N2/c1-4-11(3)14(5-2)10-9-12(13)7-6-8-12/h11H,4-10,13H2,1-3H3
InChIKeyHIBAXHSEKOEUAH-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine (CID 79842033) is 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine is CCC(C)N(CC)CCC1(N)CCC1.
What is the InChIKey of 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine?
The InChIKey is HIBAXHSEKOEUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11(3)14(5-2)10-9-12(13)7-6-8-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine?
1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79842033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).