N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine

C18H29NO — CID 79856403

IUPACN-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine
SMILESCCCc1ccc(OC2CCC(C)(C)C2NCC)cc1
InChIInChI=1S/C18H29NO/c1-5-7-14-8-10-15(11-9-14)20-16-12-13-18(3,4)17(16)19-6-2/h8-11,16-17,19H,5-7,12-13H2,1-4H3
InChIKeyOEDCNTQEEKACHU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.18
Rot. Bonds6

About N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine (PubChem CID 79856403) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine
PubChem CID79856403
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine
SMILESCCCc1ccc(OC2CCC(C)(C)C2NCC)cc1
InChIInChI=1S/C18H29NO/c1-5-7-14-8-10-15(11-9-14)20-16-12-13-18(3,4)17(16)19-6-2/h8-11,16-17,19H,5-7,12-13H2,1-4H3
InChIKeyOEDCNTQEEKACHU-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
CID 79865783
5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859799
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865785
5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865771
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
1-cyclobutyloxy-4-propylbenzene
CID 178141621
N-methyl-2-(4-propylphenoxy)cyclopentan-1-amine
CID 55085230
5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
CID 79857865
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79834544
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
CID 79856244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine (CID 79856403) is N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine is CCCc1ccc(OC2CCC(C)(C)C2NCC)cc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine?
The InChIKey is OEDCNTQEEKACHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-7-14-8-10-15(11-9-14)20-16-12-13-18(3,4)17(16)19-6-2/h8-11,16-17,19H,5-7,12-13H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine is sourced from PubChem (CID 79856403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).