N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

C17H27N — CID 55085442

IUPACN-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCCNC1CCCC1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H27N/c1-5-18-17-8-6-7-15(17)11-16-13(3)9-12(2)10-14(16)4/h9-10,15,17-18H,5-8,11H2,1-4H3
InChIKeyTUPJVXMOHZDPLM-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.93
Rot. Bonds4

About N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (PubChem CID 55085442) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
PubChem CID55085442
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCCNC1CCCC1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H27N/c1-5-18-17-8-6-7-15(17)11-16-13(3)9-12(2)10-14(16)4/h9-10,15,17-18H,5-8,11H2,1-4H3
InChIKeyTUPJVXMOHZDPLM-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (CID 55085442) is N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is CCNC1CCCC1Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is TUPJVXMOHZDPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-18-17-8-6-7-15(17)11-16-13(3)9-12(2)10-14(16)4/h9-10,15,17-18H,5-8,11H2,1-4H3.
What are the key properties of N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 55085442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).