N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine

C15H19Cl2N — CID 113404780

IUPACN-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine
SMILESCCC1CC1(CNC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2N/c1-2-10-8-15(10,9-18-11-6-7-11)14-12(16)4-3-5-13(14)17/h3-5,10-11,18H,2,6-9H2,1H3
InChIKeyCAGQTTWKCRQYIP-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.41
Rot. Bonds5

About N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine

N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine (PubChem CID 113404780) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine
PubChem CID113404780
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC NameN-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine
SMILESCCC1CC1(CNC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2N/c1-2-10-8-15(10,9-18-11-6-7-11)14-12(16)4-3-5-13(14)17/h3-5,10-11,18H,2,6-9H2,1H3
InChIKeyCAGQTTWKCRQYIP-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine (CID 113404780) is N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine is CCC1CC1(CNC1CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine?
The InChIKey is CAGQTTWKCRQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-2-10-8-15(10,9-18-11-6-7-11)14-12(16)4-3-5-13(14)17/h3-5,10-11,18H,2,6-9H2,1H3.
What are the key properties of N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine?
N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine has a molecular weight of 284.23 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 113404780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).