1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide

C13H26N2O2 — CID 79649123

IUPAC1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(OCCCC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)5-4-8-17-11-6-7-13(9-11,15-3)12(14)16/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyGXZBRZJHAPRRCK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds7

About 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide

1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide (PubChem CID 79649123) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
PubChem CID79649123
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(OCCCC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)5-4-8-17-11-6-7-13(9-11,15-3)12(14)16/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyGXZBRZJHAPRRCK-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxylic acid
CID 79648891
3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
CID 79648653
1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
CID 82791692
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
1-(cyclopropylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79649443
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
1-(ethylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79648904
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxamide
CID 106448862

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide (CID 79649123) is 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(OCCCC(C)C)C1.
What is the InChIKey of 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide?
The InChIKey is GXZBRZJHAPRRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)5-4-8-17-11-6-7-13(9-11,15-3)12(14)16/h10-11,15H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide?
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79649123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).