1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine

C16H26N2O — CID 62008932

IUPAC1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
SMILESCCN(CCOc1ccccc1)C1(CN)CCCC1
InChIInChI=1S/C16H26N2O/c1-2-18(16(14-17)10-6-7-11-16)12-13-19-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,17H2,1H3
InChIKeyBJIZBTGWQGDVCF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds7

About 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine (PubChem CID 62008932) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
PubChem CID62008932
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
SMILESCCN(CCOc1ccccc1)C1(CN)CCCC1
InChIInChI=1S/C16H26N2O/c1-2-18(16(14-17)10-6-7-11-16)12-13-19-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,17H2,1H3
InChIKeyBJIZBTGWQGDVCF-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine (CID 62008932) is 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine is CCN(CCOc1ccccc1)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine?
The InChIKey is BJIZBTGWQGDVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-18(16(14-17)10-6-7-11-16)12-13-19-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine is sourced from PubChem (CID 62008932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).