1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine

C12H25NO — CID 103019848

IUPAC1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1CCC(C)(C)OC
InChIInChI=1S/C12H25NO/c1-12(2,14-4)8-7-10-5-6-11(10)9-13-3/h10-11,13H,5-9H2,1-4H3
InChIKeyVAESZNLEYZYLRN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds6

About 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine

1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine (PubChem CID 103019848) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine
PubChem CID103019848
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1CCC(C)(C)OC
InChIInChI=1S/C12H25NO/c1-12(2,14-4)8-7-10-5-6-11(10)9-13-3/h10-11,13H,5-9H2,1-4H3
InChIKeyVAESZNLEYZYLRN-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70223348
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CID 123138948
N-[2-(7,11-dimethyl-3-bicyclo[8.1.1]dodecanyl)ethoxymethyl]-2-ethylbutan-1-amine
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CID 149921074
4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine
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(8R)-3-ethyl-8-methoxy-N,7-dimethyldecan-1-amine
CID 163818827
2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine
CID 163927559
3-(5-Methoxyhexan-2-yl)azetidine
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N-ethyl-1-methoxy-5-propan-2-ylcyclooctan-1-amine
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CID 65166601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine (CID 103019848) is 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1CCC(C)(C)OC.
What is the InChIKey of 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is VAESZNLEYZYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,14-4)8-7-10-5-6-11(10)9-13-3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine?
1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 103019848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).