(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

C15H24N4O — CID 63168429

IUPAC(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(N)cc2N)C1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)12-7-8-19(10-12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9,12H,3-4,7-8,10,16-17H2,1-2H3
InChIKeyOAMZCXFCPXLSHA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.41
Rot. Bonds4

About (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63168429) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID63168429
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(N)cc2N)C1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)12-7-8-19(10-12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9,12H,3-4,7-8,10,16-17H2,1-2H3
InChIKeyOAMZCXFCPXLSHA-UHFFFAOYSA-N
XLogP1.41
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168602
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 86785879
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(2,4-diaminophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79174847
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 63168429) is (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2ccc(N)cc2N)C1.
What is the InChIKey of (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is OAMZCXFCPXLSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18(4-2)12-7-8-19(10-12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9,12H,3-4,7-8,10,16-17H2,1-2H3.
What are the key properties of (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63168429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).