2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline

C16H26N2 — CID 107274590

IUPAC2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
SMILESCC(C)C1CCN(CCCc2ccccc2N)C1
InChIInChI=1S/C16H26N2/c1-13(2)15-9-11-18(12-15)10-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,13,15H,5,7,9-12,17H2,1-2H3
InChIKeyHNXNJWDAIYHZON-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.18
Rot. Bonds5

About 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline

2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline (PubChem CID 107274590) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline.

Molecular Properties

Compound Name2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
PubChem CID107274590
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
SMILESCC(C)C1CCN(CCCc2ccccc2N)C1
InChIInChI=1S/C16H26N2/c1-13(2)15-9-11-18(12-15)10-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,13,15H,5,7,9-12,17H2,1-2H3
InChIKeyHNXNJWDAIYHZON-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 113417575
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 62497247
2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 107274472
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
2-amino-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 104824862
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64570830
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
CID 113417882
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]aniline
CID 107274621

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline?
The IUPAC name of 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline (CID 107274590) is 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline.
What is the SMILES notation for 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline?
The canonical SMILES for 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline is CC(C)C1CCN(CCCc2ccccc2N)C1.
What is the InChIKey of 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline?
The InChIKey is HNXNJWDAIYHZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-9-11-18(12-15)10-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,13,15H,5,7,9-12,17H2,1-2H3.
What are the key properties of 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline?
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline is sourced from PubChem (CID 107274590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).