N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine

C19H31N — CID 43489814

IUPACN-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)c(C)c(C)c1C)C1CCCC1
InChIInChI=1S/C19H31N/c1-7-20-19(17-10-8-9-11-17)18-15(5)13(3)12(2)14(4)16(18)6/h17,19-20H,7-11H2,1-6H3
InChIKeyACXFIYBTUBGGSG-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.07
Rot. Bonds4

About N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine

N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine (PubChem CID 43489814) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
PubChem CID43489814
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)c(C)c(C)c1C)C1CCCC1
InChIInChI=1S/C19H31N/c1-7-20-19(17-10-8-9-11-17)18-15(5)13(3)12(2)14(4)16(18)6/h17,19-20H,7-11H2,1-6H3
InChIKeyACXFIYBTUBGGSG-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine (CID 43489814) is N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine is CCNC(c1c(C)c(C)c(C)c(C)c1C)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The InChIKey is ACXFIYBTUBGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-7-20-19(17-10-8-9-11-17)18-15(5)13(3)12(2)14(4)16(18)6/h17,19-20H,7-11H2,1-6H3.
What are the key properties of N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).