2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide

C13H23N3O — CID 54927399

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC1CCN(CC)C1
InChIInChI=1S/C13H23N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h1,11-12,15H,5-10H2,2-3H3,(H,14,17)
InChIKeyWZRHVJIXZYRTNI-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.06
Rot. Bonds6

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide (PubChem CID 54927399) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
PubChem CID54927399
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC1CCN(CC)C1
InChIInChI=1S/C13H23N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h1,11-12,15H,5-10H2,2-3H3,(H,14,17)
InChIKeyWZRHVJIXZYRTNI-UHFFFAOYSA-N
XLogP0.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
CID 60855261
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
CID 54927684
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
CID 54927639
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
N-[(1-ethylpiperidin-4-yl)methyl]prop-2-yn-1-amine
CID 62141446
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62965394
1-cyclopropyl-N-[(1-ethylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64920141
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide (CID 54927399) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCC1CCN(CC)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide?
The InChIKey is WZRHVJIXZYRTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h1,11-12,15H,5-10H2,2-3H3,(H,14,17).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide?
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 0.06, 6 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-prop-2-ynylpropanamide is sourced from PubChem (CID 54927399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).