1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine

C16H26N2 — CID 83980661

IUPAC1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)CC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-17-14(2)11-16-9-10-18(13-16)12-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyALZIGONPSNDEQR-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.90
Rot. Bonds6

About 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine

1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine (PubChem CID 83980661) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine
PubChem CID83980661
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)CC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-17-14(2)11-16-9-10-18(13-16)12-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyALZIGONPSNDEQR-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-ethylpyrrolidine
CID 12648208
1-(1-benzylpiperidin-4-yl)-N-ethylethanamine
CID 63854656
1-benzyl-3-propylpyrrolidine
CID 12648211
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
CID 83986174
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
CID 83982592
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine (CID 83980661) is 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine is CCNC(C)CC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine?
The InChIKey is ALZIGONPSNDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-14(2)11-16-9-10-18(13-16)12-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine?
1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 83980661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).