2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide

C16H30N4O — CID 81465082

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide
SMILESCC1CN(CC(NC2CC2)(C(N)=O)C2CC2)CC1N(C)C
InChIInChI=1S/C16H30N4O/c1-11-8-20(9-14(11)19(2)3)10-16(15(17)21,12-4-5-12)18-13-6-7-13/h11-14,18H,4-10H2,1-3H3,(H2,17,21)
InChIKeyJYMLFTMGNYAXNA-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.25
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide

2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide (PubChem CID 81465082) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide
PubChem CID81465082
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide
SMILESCC1CN(CC(NC2CC2)(C(N)=O)C2CC2)CC1N(C)C
InChIInChI=1S/C16H30N4O/c1-11-8-20(9-14(11)19(2)3)10-16(15(17)21,12-4-5-12)18-13-6-7-13/h11-14,18H,4-10H2,1-3H3,(H2,17,21)
InChIKeyJYMLFTMGNYAXNA-UHFFFAOYSA-N
XLogP0.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propanamide
CID 81475312
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
CID 81465456
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 63911504
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 115561563
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propanamide
CID 63907004
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103537930
2-cyclopropyl-2-(cyclopropylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanamide
CID 63909395
2-cyclopropyl-2-(cyclopropylamino)-3-pyrazol-1-ylpropanamide
CID 63920489
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 79932429
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate
CID 81474841
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 81474873

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide (CID 81465082) is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide is CC1CN(CC(NC2CC2)(C(N)=O)C2CC2)CC1N(C)C.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide?
The InChIKey is JYMLFTMGNYAXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11-8-20(9-14(11)19(2)3)10-16(15(17)21,12-4-5-12)18-13-6-7-13/h11-14,18H,4-10H2,1-3H3,(H2,17,21).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide?
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide has a molecular weight of 294.44 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 81465082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).