3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine

C16H26N2 — CID 113417035

IUPAC3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
SMILESCCCC1CCN(C(CCN)c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-2-6-14-10-12-18(13-14)16(9-11-17)15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13,17H2,1H3
InChIKeyKHWCTMCULFCWBY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds6

About 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine

3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine (PubChem CID 113417035) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
PubChem CID113417035
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
SMILESCCCC1CCN(C(CCN)c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-2-6-14-10-12-18(13-14)16(9-11-17)15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13,17H2,1H3
InChIKeyKHWCTMCULFCWBY-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
CID 63382677
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
3-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 63171689
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 114797720
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid
CID 79687883
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
3-(2,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62779217

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine (CID 113417035) is 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine is CCCC1CCN(C(CCN)c2ccccc2)C1.
What is the InChIKey of 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is KHWCTMCULFCWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-6-14-10-12-18(13-14)16(9-11-17)15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13,17H2,1H3.
What are the key properties of 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine?
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 113417035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).