3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine

C18H30N2 — CID 79184402

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCN1CC(C)C(C)C1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-11-19-18(17-8-6-5-7-9-17)10-12-20-13-15(2)16(3)14-20/h5-9,15-16,18-19H,4,10-14H2,1-3H3
InChIKeyQRNZOOGLQXNDLL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.71
Rot. Bonds7

About 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine

3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine (PubChem CID 79184402) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
PubChem CID79184402
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCN1CC(C)C(C)C1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-11-19-18(17-8-6-5-7-9-17)10-12-20-13-15(2)16(3)14-20/h5-9,15-16,18-19H,4,10-14H2,1-3H3
InChIKeyQRNZOOGLQXNDLL-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
CID 103532396
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine (CID 79184402) is 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine is CCCNC(CCN1CC(C)C(C)C1)c1ccccc1.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine?
The InChIKey is QRNZOOGLQXNDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-11-19-18(17-8-6-5-7-9-17)10-12-20-13-15(2)16(3)14-20/h5-9,15-16,18-19H,4,10-14H2,1-3H3.
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine?
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 79184402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).