1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine

C12H25N — CID 82930955

IUPAC1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
SMILESCCC(CC)CC1(CNC)CCC1
InChIInChI=1S/C12H25N/c1-4-11(5-2)9-12(10-13-3)7-6-8-12/h11,13H,4-10H2,1-3H3
InChIKeyHAWWXUHCOCUAJQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds6

About 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine

1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine (PubChem CID 82930955) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
PubChem CID82930955
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
SMILESCCC(CC)CC1(CNC)CCC1
InChIInChI=1S/C12H25N/c1-4-11(5-2)9-12(10-13-3)7-6-8-12/h11,13H,4-10H2,1-3H3
InChIKeyHAWWXUHCOCUAJQ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine (CID 82930955) is 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine is CCC(CC)CC1(CNC)CCC1.
What is the InChIKey of 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is HAWWXUHCOCUAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-11(5-2)9-12(10-13-3)7-6-8-12/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine?
1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 82930955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).