N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide

C13H26N2O — CID 80693383

IUPACN-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1CCC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)12(16)15-8-7-14-11-5-6-13(3,4)9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyNJERSDLAJUOMDA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds5

About N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide

N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide (PubChem CID 80693383) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
PubChem CID80693383
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1CCC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)12(16)15-8-7-14-11-5-6-13(3,4)9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyNJERSDLAJUOMDA-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
CID 80706039
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
2-[(3,3-dimethylcyclopentyl)amino]-N-propan-2-ylacetamide
CID 80692862
N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80692638
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
CID 80706316
6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
CID 104537039
2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide
CID 64755259
2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 104531066
N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114545867

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide (CID 80693383) is N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC1CCC(C)(C)C1.
What is the InChIKey of N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is NJERSDLAJUOMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)12(16)15-8-7-14-11-5-6-13(3,4)9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide?
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 80693383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).