1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine

C12H22N2 — CID 123456438

IUPAC1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine
SMILESCCC1(C2(N)CCC2C)CC2CNC21
InChIInChI=1S/C12H22N2/c1-3-11(6-9-7-14-10(9)11)12(13)5-4-8(12)2/h8-10,14H,3-7,13H2,1-2H3
InChIKeyGZLLQQHAYOUYSM-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.50
Rot. Bonds2

About 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine

1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine (PubChem CID 123456438) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine
PubChem CID123456438
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine
SMILESCCC1(C2(N)CCC2C)CC2CNC21
InChIInChI=1S/C12H22N2/c1-3-11(6-9-7-14-10(9)11)12(13)5-4-8(12)2/h8-10,14H,3-7,13H2,1-2H3
InChIKeyGZLLQQHAYOUYSM-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine?
The IUPAC name of 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine (CID 123456438) is 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine is CCC1(C2(N)CCC2C)CC2CNC21.
What is the InChIKey of 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine?
The InChIKey is GZLLQQHAYOUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-11(6-9-7-14-10(9)11)12(13)5-4-8(12)2/h8-10,14H,3-7,13H2,1-2H3.
What are the key properties of 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine?
1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 123456438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).