4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine

C13H27NO2 — CID 103036052

IUPAC4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)C1(OC)CCC1
InChIInChI=1S/C13H27NO2/c1-12(2,15-4)10-7-11(14-3)13(16-5)8-6-9-13/h11,14H,6-10H2,1-5H3
InChIKeyKBJMRFYRCXOZRY-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds7

About 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine

4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine (PubChem CID 103036052) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine
PubChem CID103036052
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)C1(OC)CCC1
InChIInChI=1S/C13H27NO2/c1-12(2,15-4)10-7-11(14-3)13(16-5)8-6-9-13/h11,14H,6-10H2,1-5H3
InChIKeyKBJMRFYRCXOZRY-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine (CID 103036052) is 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)C1(OC)CCC1.
What is the InChIKey of 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine?
The InChIKey is KBJMRFYRCXOZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,15-4)10-7-11(14-3)13(16-5)8-6-9-13/h11,14H,6-10H2,1-5H3.
What are the key properties of 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine?
4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103036052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).