2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol

C13H25NO2 — CID 61055158

IUPAC2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol
SMILESOCC(NC1CCCCCC1)C1CCOC1
InChIInChI=1S/C13H25NO2/c15-9-13(11-7-8-16-10-11)14-12-5-3-1-2-4-6-12/h11-15H,1-10H2
InChIKeyMYROYKCBMFZXEF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds4

About 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol

2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol (PubChem CID 61055158) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol
PubChem CID61055158
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol
SMILESOCC(NC1CCCCCC1)C1CCOC1
InChIInChI=1S/C13H25NO2/c15-9-13(11-7-8-16-10-11)14-12-5-3-1-2-4-6-12/h11-15H,1-10H2
InChIKeyMYROYKCBMFZXEF-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
CID 62391437
N-cycloheptyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 65379536
2-(cycloheptylamino)-2-cyclopropylethanol
CID 61308259
3-(cyclopentylamino)-2-(oxolan-3-yl)propan-1-ol
CID 117237577
2-(cycloheptylamino)-2-(oxolan-3-yl)acetic acid
CID 54892838
N-cyclopentyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 65384575
ethyl 2-(cyclohexylamino)-2-(oxolan-3-yl)acetate
CID 54892505
2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile
CID 61002248
2-(2-methoxyethylamino)-2-(oxan-3-yl)ethanol
CID 63739547
1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950
1-(cyclohexylamino)ethane-1,2-diol
CID 123616579
3-cyclohexyl-3-(cyclopropylamino)propan-1-ol
CID 83818925

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol (CID 61055158) is 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol is OCC(NC1CCCCCC1)C1CCOC1.
What is the InChIKey of 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol?
The InChIKey is MYROYKCBMFZXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-9-13(11-7-8-16-10-11)14-12-5-3-1-2-4-6-12/h11-15H,1-10H2.
What are the key properties of 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol?
2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol is sourced from PubChem (CID 61055158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).