2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone

C14H26N2O3 — CID 64551692

IUPAC2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone
SMILESNC1(COCC(=O)N2CCOCC2)CCCCCC1
InChIInChI=1S/C14H26N2O3/c15-14(5-3-1-2-4-6-14)12-19-11-13(17)16-7-9-18-10-8-16/h1-12,15H2
InChIKeySMRMIMXLJUQJKR-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.91
Rot. Bonds4

About 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone

2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone (PubChem CID 64551692) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone
PubChem CID64551692
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone
SMILESNC1(COCC(=O)N2CCOCC2)CCCCCC1
InChIInChI=1S/C14H26N2O3/c15-14(5-3-1-2-4-6-14)12-19-11-13(17)16-7-9-18-10-8-16/h1-12,15H2
InChIKeySMRMIMXLJUQJKR-UHFFFAOYSA-N
XLogP0.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone (CID 64551692) is 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone is NC1(COCC(=O)N2CCOCC2)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone?
The InChIKey is SMRMIMXLJUQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-14(5-3-1-2-4-6-14)12-19-11-13(17)16-7-9-18-10-8-16/h1-12,15H2.
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone?
2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone has a molecular weight of 270.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 64551692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).