2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline

C16H26N2 — CID 54961011

IUPAC2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESCC(C)c1ccccc1NCCCN1CCCC1
InChIInChI=1S/C16H26N2/c1-14(2)15-8-3-4-9-16(15)17-10-7-13-18-11-5-6-12-18/h3-4,8-9,14,17H,5-7,10-13H2,1-2H3
InChIKeyGYXDRFKENDBQHE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.71
Rot. Bonds6

About 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline

2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 54961011) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID54961011
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESCC(C)c1ccccc1NCCCN1CCCC1
InChIInChI=1S/C16H26N2/c1-14(2)15-8-3-4-9-16(15)17-10-7-13-18-11-5-6-12-18/h3-4,8-9,14,17H,5-7,10-13H2,1-2H3
InChIKeyGYXDRFKENDBQHE-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
N-pentyl-2-propan-2-ylaniline
CID 29268175
2-(3-pyrrolidin-1-ylpropylamino)benzonitrile
CID 23324083
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
2-(2-propan-2-ylanilino)ethanol
CID 28574084
N-(2-chloroethyl)-2-propan-2-ylaniline
CID 82112244
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]phenyl]sulfanylaniline
CID 10601342
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline (CID 54961011) is 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline is CC(C)c1ccccc1NCCCN1CCCC1.
What is the InChIKey of 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is GYXDRFKENDBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)15-8-3-4-9-16(15)17-10-7-13-18-11-5-6-12-18/h3-4,8-9,14,17H,5-7,10-13H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline?
2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 54961011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).