N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide

C13H26N2O2 — CID 63869286

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCOC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-3-10(2)13(16)15-8-9-17-12-6-4-11(14)5-7-12/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyIKYZVXIIVYVLLJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds6

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide (PubChem CID 63869286) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
PubChem CID63869286
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCOC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-3-10(2)13(16)15-8-9-17-12-6-4-11(14)5-7-12/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyIKYZVXIIVYVLLJ-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
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

N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
N-(2-cyclopentyloxyethyl)-3-(ethylamino)-2-methylpropanamide
CID 63828827
2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
CID 63870091
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
2-amino-N-(2-cyclopentyloxyethyl)-3-methylbutanamide
CID 63828819
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
CID 112603398
1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane
CID 114959357
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 63827048
(2R)-2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 103795665

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide (CID 63869286) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide is CCC(C)C(=O)NCCOC1CCC(N)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide?
The InChIKey is IKYZVXIIVYVLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-10(2)13(16)15-8-9-17-12-6-4-11(14)5-7-12/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide is sourced from PubChem (CID 63869286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).