4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C16H26N2 — CID 79541004

IUPAC4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2/c1-12(2)14-6-8-15(9-7-14)18-13(3)11-16-5-4-10-17-16/h6-9,12-13,16-18H,4-5,10-11H2,1-3H3
InChIKeyPJEAODAAYNKCRL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.75
Rot. Bonds5

About 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 79541004) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID79541004
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2/c1-12(2)14-6-8-15(9-7-14)18-13(3)11-16-5-4-10-17-16/h6-9,12-13,16-18H,4-5,10-11H2,1-3H3
InChIKeyPJEAODAAYNKCRL-UHFFFAOYSA-N
XLogP3.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79540902
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788363
2-chloro-5-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 79541140
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
CID 79538338

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 79541004) is 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CC(CC1CCCN1)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is PJEAODAAYNKCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14-6-8-15(9-7-14)18-13(3)11-16-5-4-10-17-16/h6-9,12-13,16-18H,4-5,10-11H2,1-3H3.
What are the key properties of 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79541004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).