N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine

C15H30N2O — CID 55024032

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine
SMILESCC1CN(CCNC2CCCCCC2)CC(C)O1
InChIInChI=1S/C15H30N2O/c1-13-11-17(12-14(2)18-13)10-9-16-15-7-5-3-4-6-8-15/h13-16H,3-12H2,1-2H3
InChIKeyHMOFVRZNODPPHQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine (PubChem CID 55024032) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine
PubChem CID55024032
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine
SMILESCC1CN(CCNC2CCCCCC2)CC(C)O1
InChIInChI=1S/C15H30N2O/c1-13-11-17(12-14(2)18-13)10-9-16-15-7-5-3-4-6-8-15/h13-16H,3-12H2,1-2H3
InChIKeyHMOFVRZNODPPHQ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine (CID 55024032) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine is CC1CN(CCNC2CCCCCC2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine?
The InChIKey is HMOFVRZNODPPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-11-17(12-14(2)18-13)10-9-16-15-7-5-3-4-6-8-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 55024032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).