N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline

C17H28N2 — CID 43732186

IUPACN-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
SMILESCC(C)CCC(C)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)6-7-15(3)18-16-8-10-17(11-9-16)19-12-4-5-13-19/h8-11,14-15,18H,4-7,12-13H2,1-3H3
InChIKeyJPVSJSPWWUBFCK-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.52
Rot. Bonds6

About N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline

N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline (PubChem CID 43732186) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
PubChem CID43732186
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
SMILESCC(C)CCC(C)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)6-7-15(3)18-16-8-10-17(11-9-16)19-12-4-5-13-19/h8-11,14-15,18H,4-7,12-13H2,1-3H3
InChIKeyJPVSJSPWWUBFCK-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.52
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-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
CID 19805826
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
CID 54913869
N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43226933
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline (CID 43732186) is N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline is CC(C)CCC(C)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline?
The InChIKey is JPVSJSPWWUBFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)6-7-15(3)18-16-8-10-17(11-9-16)19-12-4-5-13-19/h8-11,14-15,18H,4-7,12-13H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline?
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline has a molecular weight of 260.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43732186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).