3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol

C11H23NO3 — CID 82842414

IUPAC3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol
SMILESNCC1(OCC(O)CO)CCCCCC1
InChIInChI=1S/C11H23NO3/c12-9-11(15-8-10(14)7-13)5-3-1-2-4-6-11/h10,13-14H,1-9,12H2
InChIKeyLQYJEGRMCMZOPE-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.41
Rot. Bonds5

About 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol

3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol (PubChem CID 82842414) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol
PubChem CID82842414
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol
SMILESNCC1(OCC(O)CO)CCCCCC1
InChIInChI=1S/C11H23NO3/c12-9-11(15-8-10(14)7-13)5-3-1-2-4-6-11/h10,13-14H,1-9,12H2
InChIKeyLQYJEGRMCMZOPE-UHFFFAOYSA-N
XLogP0.41
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol?
The IUPAC name of 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol (CID 82842414) is 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol?
The canonical SMILES for 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol is NCC1(OCC(O)CO)CCCCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol?
The InChIKey is LQYJEGRMCMZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c12-9-11(15-8-10(14)7-13)5-3-1-2-4-6-11/h10,13-14H,1-9,12H2.
What are the key properties of 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol?
3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol has a molecular weight of 217.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol is sourced from PubChem (CID 82842414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).