N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C16H24ClN3 — CID 83221632

IUPACN-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCC(C)N1c1ccc(Cl)c(CNC2CC2)n1
InChIInChI=1S/C16H24ClN3/c1-3-13-7-4-11(2)20(13)16-9-8-14(17)15(19-16)10-18-12-5-6-12/h8-9,11-13,18H,3-7,10H2,1-2H3
InChIKeyKKKJCRMYJSXZMX-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.75
Rot. Bonds5

About N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 83221632) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID83221632
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCC(C)N1c1ccc(Cl)c(CNC2CC2)n1
InChIInChI=1S/C16H24ClN3/c1-3-13-7-4-11(2)20(13)16-9-8-14(17)15(19-16)10-18-12-5-6-12/h8-9,11-13,18H,3-7,10H2,1-2H3
InChIKeyKKKJCRMYJSXZMX-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 83221632) is N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CCC1CCC(C)N1c1ccc(Cl)c(CNC2CC2)n1.
What is the InChIKey of N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KKKJCRMYJSXZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-3-13-7-4-11(2)20(13)16-9-8-14(17)15(19-16)10-18-12-5-6-12/h8-9,11-13,18H,3-7,10H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 293.84 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 83221632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).