N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide

C13H25N3O — CID 60859292

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-14-7-2-3-13(17)15-9-11-6-8-16(10-11)12-4-5-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyDMMPZQFCGHTPAH-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds7

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide (PubChem CID 60859292) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
PubChem CID60859292
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-14-7-2-3-13(17)15-9-11-6-8-16(10-11)12-4-5-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyDMMPZQFCGHTPAH-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
CID 86984895
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
CID 122559584

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide (CID 60859292) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide?
The InChIKey is DMMPZQFCGHTPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-7-2-3-13(17)15-9-11-6-8-16(10-11)12-4-5-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide has a molecular weight of 239.36 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 60859292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).