N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline

C18H29N3 — CID 62273687

IUPACN,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline
SMILESCC(c1ccc(N(C)C)cc1)N1CCCC1C1CCCN1
InChIInChI=1S/C18H29N3/c1-14(15-8-10-16(11-9-15)20(2)3)21-13-5-7-18(21)17-6-4-12-19-17/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyUCQPEFVEXIRWHQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.03
Rot. Bonds4

About N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline

N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline (PubChem CID 62273687) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline
PubChem CID62273687
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline
SMILESCC(c1ccc(N(C)C)cc1)N1CCCC1C1CCCN1
InChIInChI=1S/C18H29N3/c1-14(15-8-10-16(11-9-15)20(2)3)21-13-5-7-18(21)17-6-4-12-19-17/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyUCQPEFVEXIRWHQ-UHFFFAOYSA-N
XLogP3.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline (CID 62273687) is N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline is CC(c1ccc(N(C)C)cc1)N1CCCC1C1CCCN1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline?
The InChIKey is UCQPEFVEXIRWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(15-8-10-16(11-9-15)20(2)3)21-13-5-7-18(21)17-6-4-12-19-17/h8-11,14,17-19H,4-7,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline?
N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline has a molecular weight of 287.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline is sourced from PubChem (CID 62273687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).