2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol

C13H27NO2 — CID 103033548

IUPAC2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol
SMILESCOC(C)(C)CCNC1CCCCCC1O
InChIInChI=1S/C13H27NO2/c1-13(2,16-3)9-10-14-11-7-5-4-6-8-12(11)15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyORVSOJWHVVXWRH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.08
Rot. Bonds5

About 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol

2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol (PubChem CID 103033548) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol
PubChem CID103033548
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol
SMILESCOC(C)(C)CCNC1CCCCCC1O
InChIInChI=1S/C13H27NO2/c1-13(2,16-3)9-10-14-11-7-5-4-6-8-12(11)15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyORVSOJWHVVXWRH-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol (CID 103033548) is 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol is COC(C)(C)CCNC1CCCCCC1O.
What is the InChIKey of 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol?
The InChIKey is ORVSOJWHVVXWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,16-3)9-10-14-11-7-5-4-6-8-12(11)15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol?
2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylbutyl)amino]cycloheptan-1-ol is sourced from PubChem (CID 103033548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).