3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine

C17H28N2 — CID 62413169

IUPAC3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14(2)18-11-9-15(3)19-12-10-17(13-19)16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3
InChIKeyYUMQLZQCKQPRSH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.25
Rot. Bonds6

About 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine

3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 62413169) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID62413169
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14(2)18-11-9-15(3)19-12-10-17(13-19)16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3
InChIKeyYUMQLZQCKQPRSH-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 62412660
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
N-methyl-2-(3-phenylpyrrolidin-1-yl)pentan-3-amine
CID 62132289
2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
CID 64702739
2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 81012350
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine
CID 62133567
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 142021655
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine (CID 62413169) is 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is YUMQLZQCKQPRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)18-11-9-15(3)19-12-10-17(13-19)16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3.
What are the key properties of 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine?
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62413169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).