4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine

C15H25N3 — CID 54961012

IUPAC4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NCCCN2CCCC2)cc1
InChIInChI=1S/C15H25N3/c1-17(2)15-8-6-14(7-9-15)16-10-5-13-18-11-3-4-12-18/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyWDFYPADFIJPFTD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.65
Rot. Bonds6

About 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine (PubChem CID 54961012) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
PubChem CID54961012
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NCCCN2CCCC2)cc1
InChIInChI=1S/C15H25N3/c1-17(2)15-8-6-14(7-9-15)16-10-5-13-18-11-3-4-12-18/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyWDFYPADFIJPFTD-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.65
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65023588
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 61494334
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802
1-[3-(azepan-1-yl)propyl]-3-[[4-(dimethylamino)phenyl]methyl]-2-methylguanidine
CID 111324476
N-(3-pyrrolidin-1-ylpropyl)thiophen-3-amine
CID 66352590
N-(4-chlorophenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55163626

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine (CID 54961012) is 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine is CN(C)c1ccc(NCCCN2CCCC2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine?
The InChIKey is WDFYPADFIJPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)15-8-6-14(7-9-15)16-10-5-13-18-11-3-4-12-18/h6-9,16H,3-5,10-13H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 54961012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).