[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium

C14H24N3O+ — CID 7261327

IUPAC[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium
SMILESCCC[NH2+]CC(=O)N(Cc1cccn1C)C1CC1
InChIInChI=1S/C14H23N3O/c1-3-8-15-10-14(18)17(12-6-7-12)11-13-5-4-9-16(13)2/h4-5,9,12,15H,3,6-8,10-11H2,1-2H3/p+1
InChIKeyRPQWKLNKFWMLPV-UHFFFAOYSA-O
MW250.37 g/mol
LogP0.49
Rot. Bonds7

About [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium

[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium (PubChem CID 7261327) has the molecular formula C14H24N3O+ and a molecular weight of 250.37 g/mol. Its IUPAC name is [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium.

Molecular Properties

Compound Name[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium
PubChem CID7261327
Molecular FormulaC14H24N3O+
Molecular Weight250.37 g/mol
Exact Mass250.19
IUPAC Name[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium
SMILESCCC[NH2+]CC(=O)N(Cc1cccn1C)C1CC1
InChIInChI=1S/C14H23N3O/c1-3-8-15-10-14(18)17(12-6-7-12)11-13-5-4-9-16(13)2/h4-5,9,12,15H,3,6-8,10-11H2,1-2H3/p+1
InChIKeyRPQWKLNKFWMLPV-UHFFFAOYSA-O
XLogP0.49
TPSA41.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
CID 4041529
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7225632
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 1200621
N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42767799
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 4569651
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42767843
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 42770764
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 4675917
N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 90495843
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 5222345

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium?
The IUPAC name of [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium (CID 7261327) is [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium.
What is the SMILES notation for [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium?
The canonical SMILES for [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium is CCC[NH2+]CC(=O)N(Cc1cccn1C)C1CC1.
What is the InChIKey of [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium?
The InChIKey is RPQWKLNKFWMLPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O/c1-3-8-15-10-14(18)17(12-6-7-12)11-13-5-4-9-16(13)2/h4-5,9,12,15H,3,6-8,10-11H2,1-2H3/p+1.
What are the key properties of [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium?
[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium has a molecular weight of 250.37 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium is sourced from PubChem (CID 7261327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).