N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

C17H32N2O2 — CID 62392555

IUPACN-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCOCC2)CC(C)(C)O1
InChIInChI=1S/C17H32N2O2/c1-14-10-19(12-16(2,3)21-14)13-17(6-8-20-9-7-17)11-18-15-4-5-15/h14-15,18H,4-13H2,1-3H3
InChIKeyPNZOKCUMKUCQEO-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.03
Rot. Bonds5

About N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62392555) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62392555
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCOCC2)CC(C)(C)O1
InChIInChI=1S/C17H32N2O2/c1-14-10-19(12-16(2,3)21-14)13-17(6-8-20-9-7-17)11-18-15-4-5-15/h14-15,18H,4-13H2,1-3H3
InChIKeyPNZOKCUMKUCQEO-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62392555) is N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is CC1CN(CC2(CNC3CC3)CCOCC2)CC(C)(C)O1.
What is the InChIKey of N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is PNZOKCUMKUCQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14-10-19(12-16(2,3)21-14)13-17(6-8-20-9-7-17)11-18-15-4-5-15/h14-15,18H,4-13H2,1-3H3.
What are the key properties of N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 296.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62392555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).