N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline

C16H26N2 — CID 79565816

IUPACN-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)CCC2CCCC2N)c1
InChIInChI=1S/C16H26N2/c1-12-9-13(2)11-15(10-12)18(3)8-7-14-5-4-6-16(14)17/h9-11,14,16H,4-8,17H2,1-3H3
InChIKeyKBLFEHYTTTVMAQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline

N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline (PubChem CID 79565816) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline
PubChem CID79565816
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)CCC2CCCC2N)c1
InChIInChI=1S/C16H26N2/c1-12-9-13(2)11-15(10-12)18(3)8-7-14-5-4-6-16(14)17/h9-11,14,16H,4-8,17H2,1-3H3
InChIKeyKBLFEHYTTTVMAQ-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline (CID 79565816) is N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline is Cc1cc(C)cc(N(C)CCC2CCCC2N)c1.
What is the InChIKey of N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline?
The InChIKey is KBLFEHYTTTVMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-9-13(2)11-15(10-12)18(3)8-7-14-5-4-6-16(14)17/h9-11,14,16H,4-8,17H2,1-3H3.
What are the key properties of N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline?
N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline is sourced from PubChem (CID 79565816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).