N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine

C14H20ClN3O — CID 55055019

IUPACN-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1COCCN1c1ncc(CNC2CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-10-9-19-5-4-18(10)14-13(15)6-11(8-17-14)7-16-12-2-3-12/h6,8,10,12,16H,2-5,7,9H2,1H3
InChIKeyCFQWADSTYQEZBP-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.21
Rot. Bonds4

About N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 55055019) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID55055019
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1COCCN1c1ncc(CNC2CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-10-9-19-5-4-18(10)14-13(15)6-11(8-17-14)7-16-12-2-3-12/h6,8,10,12,16H,2-5,7,9H2,1H3
InChIKeyCFQWADSTYQEZBP-UHFFFAOYSA-N
XLogP2.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 55055019) is N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine is CC1COCCN1c1ncc(CNC2CC2)cc1Cl.
What is the InChIKey of N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CFQWADSTYQEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-9-19-5-4-18(10)14-13(15)6-11(8-17-14)7-16-12-2-3-12/h6,8,10,12,16H,2-5,7,9H2,1H3.
What are the key properties of N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 281.79 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 55055019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).