N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine

C20H33N — CID 79422736

IUPACN-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
SMILESCCCCC(CC)CC(CNC1CC1)c1cccc(C)c1
InChIInChI=1S/C20H33N/c1-4-6-9-17(5-2)14-19(15-21-20-11-12-20)18-10-7-8-16(3)13-18/h7-8,10,13,17,19-21H,4-6,9,11-12,14-15H2,1-3H3
InChIKeyYBAFEAKKNKCLRH-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.44
Rot. Bonds10

About N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine

N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine (PubChem CID 79422736) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
PubChem CID79422736
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
SMILESCCCCC(CC)CC(CNC1CC1)c1cccc(C)c1
InChIInChI=1S/C20H33N/c1-4-6-9-17(5-2)14-19(15-21-20-11-12-20)18-10-7-8-16(3)13-18/h7-8,10,13,17,19-21H,4-6,9,11-12,14-15H2,1-3H3
InChIKeyYBAFEAKKNKCLRH-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-ethyl-2-(4-methylphenyl)octyl]cyclopropanamine
CID 79430983
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730114
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79443182
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 106930859
N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 103138764
N-(2-phenylnonyl)cyclopropanamine
CID 65431169

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine?
The IUPAC name of N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine (CID 79422736) is N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine.
What is the SMILES notation for N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine?
The canonical SMILES for N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine is CCCCC(CC)CC(CNC1CC1)c1cccc(C)c1.
What is the InChIKey of N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine?
The InChIKey is YBAFEAKKNKCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-6-9-17(5-2)14-19(15-21-20-11-12-20)18-10-7-8-16(3)13-18/h7-8,10,13,17,19-21H,4-6,9,11-12,14-15H2,1-3H3.
What are the key properties of N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine?
N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine has a molecular weight of 287.49 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine is sourced from PubChem (CID 79422736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).