1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine

C16H27N3 — CID 81465612

IUPAC1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CC(C)N(C)C2)cc1
InChIInChI=1S/C16H27N3/c1-5-19(6-2)16-9-7-14(8-10-16)17-15-11-13(3)18(4)12-15/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeySACGROWJAXTGNY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.04
Rot. Bonds5

About 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 81465612) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID81465612
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CC(C)N(C)C2)cc1
InChIInChI=1S/C16H27N3/c1-5-19(6-2)16-9-7-14(8-10-16)17-15-11-13(3)18(4)12-15/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeySACGROWJAXTGNY-UHFFFAOYSA-N
XLogP3.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
CID 81466938
N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466424
4-[(1,5-dimethylpyrrolidin-3-yl)amino]benzoic acid
CID 81466326
N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]cyclopropanecarboxamide
CID 81466509
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 79725282
N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466507
N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466833
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466934
N-(1,5-dimethylpyrrolidin-3-yl)-1-methylpyrazol-4-amine
CID 81465823
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466441

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 81465612) is 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(NC2CC(C)N(C)C2)cc1.
What is the InChIKey of 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is SACGROWJAXTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-19(6-2)16-9-7-14(8-10-16)17-15-11-13(3)18(4)12-15/h7-10,13,15,17H,5-6,11-12H2,1-4H3.
What are the key properties of 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 81465612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).