[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone

C17H27N3O — CID 91683050

IUPAC[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCCCN(CCC)c1ccc(N)cc1C(=O)N1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-9-19(10-4-2)16-8-7-14(18)13-15(16)17(21)20-11-5-6-12-20/h7-8,13H,3-6,9-12,18H2,1-2H3
InChIKeyNUVULDXKQYTHML-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.13
Rot. Bonds6

About [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone

[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 91683050) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID91683050
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCCCN(CCC)c1ccc(N)cc1C(=O)N1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-9-19(10-4-2)16-8-7-14(18)13-15(16)17(21)20-11-5-6-12-20/h7-8,13H,3-6,9-12,18H2,1-2H3
InChIKeyNUVULDXKQYTHML-UHFFFAOYSA-N
XLogP3.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
[5-amino-2-(dipropylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683046
[5-amino-2-(dipropylamino)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 100805150
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683055
[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
CID 102538189
[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120640613

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone (CID 91683050) is [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone is CCCN(CCC)c1ccc(N)cc1C(=O)N1CCCC1.
What is the InChIKey of [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is NUVULDXKQYTHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-9-19(10-4-2)16-8-7-14(18)13-15(16)17(21)20-11-5-6-12-20/h7-8,13H,3-6,9-12,18H2,1-2H3.
What are the key properties of [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone?
[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 289.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91683050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).