2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide

C16H33N3O — CID 79564467

IUPAC2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC1CCN(C)CC(C)(C)C
InChIInChI=1S/C16H33N3O/c1-6-18-16(14(17)20)10-7-8-13(16)9-11-19(5)12-15(2,3)4/h13,18H,6-12H2,1-5H3,(H2,17,20)
InChIKeyVGBNPCWOTPSVGC-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds7

About 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide

2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 79564467) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID79564467
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC1CCN(C)CC(C)(C)C
InChIInChI=1S/C16H33N3O/c1-6-18-16(14(17)20)10-7-8-13(16)9-11-19(5)12-15(2,3)4/h13,18H,6-12H2,1-5H3,(H2,17,20)
InChIKeyVGBNPCWOTPSVGC-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236
2-[2-(dipropylamino)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79576868
1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563917
1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564144
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564755
2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 81062489
2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79564978
1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587817
ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564538
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide (CID 79564467) is 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCCC1CCN(C)CC(C)(C)C.
What is the InChIKey of 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is VGBNPCWOTPSVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-18-16(14(17)20)10-7-8-13(16)9-11-19(5)12-15(2,3)4/h13,18H,6-12H2,1-5H3,(H2,17,20).
What are the key properties of 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79564467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).