N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine

C16H24BrN3O — CID 62292890

IUPACN-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CN(c2ncc(Br)cc2CNC2CC2)CC(C)(C)O1
InChIInChI=1S/C16H24BrN3O/c1-11-9-20(10-16(2,3)21-11)15-12(6-13(17)8-19-15)7-18-14-4-5-14/h6,8,11,14,18H,4-5,7,9-10H2,1-3H3
InChIKeyWEANQRYLTIZDMD-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.10
Rot. Bonds4

About N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62292890) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62292890
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CN(c2ncc(Br)cc2CNC2CC2)CC(C)(C)O1
InChIInChI=1S/C16H24BrN3O/c1-11-9-20(10-16(2,3)21-11)15-12(6-13(17)8-19-15)7-18-14-4-5-14/h6,8,11,14,18H,4-5,7,9-10H2,1-3H3
InChIKeyWEANQRYLTIZDMD-UHFFFAOYSA-N
XLogP3.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62292890) is N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine is CC1CN(c2ncc(Br)cc2CNC2CC2)CC(C)(C)O1.
What is the InChIKey of N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is WEANQRYLTIZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11-9-20(10-16(2,3)21-11)15-12(6-13(17)8-19-15)7-18-14-4-5-14/h6,8,11,14,18H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 354.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62292890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).