N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline

C15H24N2 — CID 43732150

IUPACN-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
SMILESCCC(C)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-3-13(2)12-16-14-6-8-15(9-7-14)17-10-4-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyBEQQKURIFZORGZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.74
Rot. Bonds5

About N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline

N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline (PubChem CID 43732150) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
PubChem CID43732150
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
SMILESCCC(C)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-3-13(2)12-16-14-6-8-15(9-7-14)17-10-4-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyBEQQKURIFZORGZ-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
N-(2-methylbutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689479
2-methyl-N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43682373
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
methyl 2-methyl-3-(4-pyrrolidin-1-ylanilino)propanoate
CID 63179747
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
methyl 2-methyl-3-(4-piperidin-1-ylanilino)propanoate
CID 63179793
1-propan-2-yloxy-3-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179695
1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
CID 63929256
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline (CID 43732150) is N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline is CCC(C)CNc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline?
The InChIKey is BEQQKURIFZORGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13(2)12-16-14-6-8-15(9-7-14)17-10-4-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline?
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43732150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).