2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine

C12H25NO — CID 103034563

IUPAC2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CCC(C)(C)OC
InChIInChI=1S/C12H25NO/c1-12(2,14-4)9-8-10-6-5-7-11(10)13-3/h10-11,13H,5-9H2,1-4H3
InChIKeySOYXMYAWFBTGOG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine

2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine (PubChem CID 103034563) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine
PubChem CID103034563
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CCC(C)(C)OC
InChIInChI=1S/C12H25NO/c1-12(2,14-4)9-8-10-6-5-7-11(10)13-3/h10-11,13H,5-9H2,1-4H3
InChIKeySOYXMYAWFBTGOG-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine (CID 103034563) is 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine is CNC1CCCC1CCC(C)(C)OC.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine?
The InChIKey is SOYXMYAWFBTGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,14-4)9-8-10-6-5-7-11(10)13-3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine?
2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 103034563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).