6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine

C19H32N2 — CID 62131389

IUPAC6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
SMILESCCCNC(C)CCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-3-13-20-17(2)9-7-8-14-21-15-12-19(16-21)18-10-5-4-6-11-18/h4-6,10-11,17,19-20H,3,7-9,12-16H2,1-2H3
InChIKeyOPUQALNGJZIIRG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.03
Rot. Bonds9

About 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine

6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine (PubChem CID 62131389) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
PubChem CID62131389
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
SMILESCCCNC(C)CCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-3-13-20-17(2)9-7-8-14-21-15-12-19(16-21)18-10-5-4-6-11-18/h4-6,10-11,17,19-20H,3,7-9,12-16H2,1-2H3
InChIKeyOPUQALNGJZIIRG-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.03
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

6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 63028538
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-propylhexan-2-amine
CID 63151141
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155130
6-phenyl-N-propylhexan-2-amine
CID 61485022
3-phenyl-1-propylpiperidine
CID 12937946
4-ethoxy-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62560108

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine?
The IUPAC name of 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine (CID 62131389) is 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine?
The canonical SMILES for 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine is CCCNC(C)CCCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine?
The InChIKey is OPUQALNGJZIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-13-20-17(2)9-7-8-14-21-15-12-19(16-21)18-10-5-4-6-11-18/h4-6,10-11,17,19-20H,3,7-9,12-16H2,1-2H3.
What are the key properties of 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine?
6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 62131389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).