2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide

C14H29N3O — CID 54927684

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCCN1CCC(CNC(C)C(=O)NCC(C)C)C1
InChIInChI=1S/C14H29N3O/c1-5-17-7-6-13(10-17)9-15-12(4)14(18)16-8-11(2)3/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyIMFFSLACRSLTRI-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.08
Rot. Bonds7

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 54927684) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID54927684
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCCN1CCC(CNC(C)C(=O)NCC(C)C)C1
InChIInChI=1S/C14H29N3O/c1-5-17-7-6-13(10-17)9-15-12(4)14(18)16-8-11(2)3/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyIMFFSLACRSLTRI-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
CID 54927399
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
CID 54927639
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120798468
2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
CID 114147705
1-cyclopropyl-N-[(1-ethylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64920141
2-[(1-methylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
CID 60855261
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide (CID 54927684) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide is CCN1CCC(CNC(C)C(=O)NCC(C)C)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is IMFFSLACRSLTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-17-7-6-13(10-17)9-15-12(4)14(18)16-8-11(2)3/h11-13,15H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 54927684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).