N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine

C17H27N — CID 64990219

IUPACN-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
SMILESCCNC1CCCCC1c1cc(C)c(C)cc1C
InChIInChI=1S/C17H27N/c1-5-18-17-9-7-6-8-15(17)16-11-13(3)12(2)10-14(16)4/h10-11,15,17-18H,5-9H2,1-4H3
InChIKeyKADMWWQIDMGUBG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.25
Rot. Bonds3

About N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine

N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine (PubChem CID 64990219) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
PubChem CID64990219
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
SMILESCCNC1CCCCC1c1cc(C)c(C)cc1C
InChIInChI=1S/C17H27N/c1-5-18-17-9-7-6-8-15(17)16-11-13(3)12(2)10-14(16)4/h10-11,15,17-18H,5-9H2,1-4H3
InChIKeyKADMWWQIDMGUBG-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine (CID 64990219) is N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine is CCNC1CCCCC1c1cc(C)c(C)cc1C.
What is the InChIKey of N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The InChIKey is KADMWWQIDMGUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-18-17-9-7-6-8-15(17)16-11-13(3)12(2)10-14(16)4/h10-11,15,17-18H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 64990219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).