3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide

C15H28N2O2 — CID 119723094

IUPAC3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
SMILESCC1CCCCC1OCCNC(=O)C1CCC(N)C1
InChIInChI=1S/C15H28N2O2/c1-11-4-2-3-5-14(11)19-9-8-17-15(18)12-6-7-13(16)10-12/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyJIFUIGBNNKRLIR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide (PubChem CID 119723094) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
PubChem CID119723094
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
SMILESCC1CCCCC1OCCNC(=O)C1CCC(N)C1
InChIInChI=1S/C15H28N2O2/c1-11-4-2-3-5-14(11)19-9-8-17-15(18)12-6-7-13(16)10-12/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyJIFUIGBNNKRLIR-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 94824406
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
CID 63833458
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026393
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide
CID 124606026

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide (CID 119723094) is 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide is CC1CCCCC1OCCNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide?
The InChIKey is JIFUIGBNNKRLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-4-2-3-5-14(11)19-9-8-17-15(18)12-6-7-13(16)10-12/h11-14H,2-10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119723094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).