N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine

C11H21NO — CID 66046692

IUPACN-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine
SMILESC=C(CC)COC1CC(CNC)C1
InChIInChI=1S/C11H21NO/c1-4-9(2)8-13-11-5-10(6-11)7-12-3/h10-12H,2,4-8H2,1,3H3
InChIKeyRYBLZFJIVXASDG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds6

About N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine

N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine (PubChem CID 66046692) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine
PubChem CID66046692
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine
SMILESC=C(CC)COC1CC(CNC)C1
InChIInChI=1S/C11H21NO/c1-4-9(2)8-13-11-5-10(6-11)7-12-3/h10-12H,2,4-8H2,1,3H3
InChIKeyRYBLZFJIVXASDG-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine (CID 66046692) is N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine is C=C(CC)COC1CC(CNC)C1.
What is the InChIKey of N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine?
The InChIKey is RYBLZFJIVXASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9(2)8-13-11-5-10(6-11)7-12-3/h10-12H,2,4-8H2,1,3H3.
What are the key properties of N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine?
N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylidenebutoxy)cyclobutyl]methanamine is sourced from PubChem (CID 66046692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).