N,N-dibenzyl-4-ethylpyrrolidin-3-amine

C20H26N2 — CID 130163577

IUPACN,N-dibenzyl-4-ethylpyrrolidin-3-amine
SMILESCCC1CNCC1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-2-19-13-21-14-20(19)22(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3
InChIKeyWRWFLYBPGQOOOO-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.69
Rot. Bonds6

About N,N-dibenzyl-4-ethylpyrrolidin-3-amine

N,N-dibenzyl-4-ethylpyrrolidin-3-amine (PubChem CID 130163577) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N-dibenzyl-4-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dibenzyl-4-ethylpyrrolidin-3-amine
PubChem CID130163577
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN,N-dibenzyl-4-ethylpyrrolidin-3-amine
SMILESCCC1CNCC1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-2-19-13-21-14-20(19)22(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3
InChIKeyWRWFLYBPGQOOOO-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 10912863
(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine
CID 129386795
N,N-dibenzyl-2-butylcyclopropan-1-amine
CID 86030986
(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
CID 43598392
4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde
CID 88872068
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine
CID 43588332

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-ethylpyrrolidin-3-amine?
The IUPAC name of N,N-dibenzyl-4-ethylpyrrolidin-3-amine (CID 130163577) is N,N-dibenzyl-4-ethylpyrrolidin-3-amine.
What is the SMILES notation for N,N-dibenzyl-4-ethylpyrrolidin-3-amine?
The canonical SMILES for N,N-dibenzyl-4-ethylpyrrolidin-3-amine is CCC1CNCC1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-ethylpyrrolidin-3-amine?
The InChIKey is WRWFLYBPGQOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-19-13-21-14-20(19)22(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3.
What are the key properties of N,N-dibenzyl-4-ethylpyrrolidin-3-amine?
N,N-dibenzyl-4-ethylpyrrolidin-3-amine has a molecular weight of 294.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-ethylpyrrolidin-3-amine is sourced from PubChem (CID 130163577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).