N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

C16H25N3O — CID 81248799

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(N2CC(C)OC(C)C2)c(CNC2CC2)cn1
InChIInChI=1S/C16H25N3O/c1-11-6-16(19-9-12(2)20-13(3)10-19)14(7-17-11)8-18-15-4-5-15/h6-7,12-13,15,18H,4-5,8-10H2,1-3H3
InChIKeyMFLYWECSGVTRFT-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.26
Rot. Bonds4

About N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81248799) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81248799
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(N2CC(C)OC(C)C2)c(CNC2CC2)cn1
InChIInChI=1S/C16H25N3O/c1-11-6-16(19-9-12(2)20-13(3)10-19)14(7-17-11)8-18-15-4-5-15/h6-7,12-13,15,18H,4-5,8-10H2,1-3H3
InChIKeyMFLYWECSGVTRFT-UHFFFAOYSA-N
XLogP2.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 81248799) is N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(N2CC(C)OC(C)C2)c(CNC2CC2)cn1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MFLYWECSGVTRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-6-16(19-9-12(2)20-13(3)10-19)14(7-17-11)8-18-15-4-5-15/h6-7,12-13,15,18H,4-5,8-10H2,1-3H3.
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81248799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).