N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine

C18H27N — CID 106169878

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCC2=CCCC2)c(C)c1
InChIInChI=1S/C18H27N/c1-13-11-14(2)18(15(3)12-13)16(4)19-10-9-17-7-5-6-8-17/h7,11-12,16,19H,5-6,8-10H2,1-4H3
InChIKeyIDHZYLHPATWHLW-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.76
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine

N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 106169878) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID106169878
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCC2=CCCC2)c(C)c1
InChIInChI=1S/C18H27N/c1-13-11-14(2)18(15(3)12-13)16(4)19-10-9-17-7-5-6-8-17/h7,11-12,16,19H,5-6,8-10H2,1-4H3
InChIKeyIDHZYLHPATWHLW-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 115974600
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 113349091
N-[2-(cyclopenten-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 106169038
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
1-(1,3-benzodioxol-5-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 103904485
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912
1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106168908

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 106169878) is N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCCC2=CCCC2)c(C)c1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is IDHZYLHPATWHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-13-11-14(2)18(15(3)12-13)16(4)19-10-9-17-7-5-6-8-17/h7,11-12,16,19H,5-6,8-10H2,1-4H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 106169878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).