2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C16H32N4O — CID 81464092

IUPAC2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H32N4O/c1-12-10-20(11-14(12)19(3)4)9-7-13-6-5-8-16(13,18-2)15(17)21/h12-14,18H,5-11H2,1-4H3,(H2,17,21)
InChIKeyZUNDGVVYBNLXPD-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.50
Rot. Bonds6

About 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 81464092) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID81464092
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H32N4O/c1-12-10-20(11-14(12)19(3)4)9-7-13-6-5-8-16(13,18-2)15(17)21/h12-14,18H,5-11H2,1-4H3,(H2,17,21)
InChIKeyZUNDGVVYBNLXPD-UHFFFAOYSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564242
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79563801
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 115561490
2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106588694
2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573690
2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564522
methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79573398
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564307
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564710

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 81464092) is 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCN1CC(C)C(N(C)C)C1.
What is the InChIKey of 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is ZUNDGVVYBNLXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-12-10-20(11-14(12)19(3)4)9-7-13-6-5-8-16(13,18-2)15(17)21/h12-14,18H,5-11H2,1-4H3,(H2,17,21).
What are the key properties of 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 81464092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).