N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline

C15H24N2 — CID 54864439

IUPACN-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
SMILESCC(C)CCNc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H24N2/c1-13(2)8-9-16-14-6-5-7-15(12-14)17-10-3-4-11-17/h5-7,12-13,16H,3-4,8-11H2,1-2H3
InChIKeySTRXTNIEMYYKDG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.74
Rot. Bonds5

About N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline

N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline (PubChem CID 54864439) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
PubChem CID54864439
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
SMILESCC(C)CCNc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H24N2/c1-13(2)8-9-16-14-6-5-7-15(12-14)17-10-3-4-11-17/h5-7,12-13,16H,3-4,8-11H2,1-2H3
InChIKeySTRXTNIEMYYKDG-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

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Related Compounds

1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
N-(3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691963
N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline
CID 60943830
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 103818774
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline (CID 54864439) is N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline is CC(C)CCNc1cccc(N2CCCC2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline?
The InChIKey is STRXTNIEMYYKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(2)8-9-16-14-6-5-7-15(12-14)17-10-3-4-11-17/h5-7,12-13,16H,3-4,8-11H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline?
N-(3-methylbutyl)-3-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-(3-methylbutyl)-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 54864439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).