N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine

C21H28N2 — CID 163258237

IUPACN,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(Cc1ccccc1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H28N2/c1-18(2)23(16-20-11-7-4-8-12-20)21-13-14-22(17-21)15-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3
InChIKeyPMERLICJIMCEPP-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.17
Rot. Bonds6

About N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine

N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 163258237) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID163258237
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(Cc1ccccc1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H28N2/c1-18(2)23(16-20-11-7-4-8-12-20)21-13-14-22(17-21)15-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3
InChIKeyPMERLICJIMCEPP-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66567022
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
CID 66565104
2-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66567287
5-benzyl-N,N-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-phospholo[3,4-c]pyridin-2-amine
CID 134865095
2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 121226156
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
(2S)-2-amino-1-[3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 66567233
2-amino-N-[(3S)-1-benzylpyrrolidin-3-yl]-3-methyl-N-propan-2-ylbutanamide
CID 121226093
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
CID 66569418
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine (CID 163258237) is N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(Cc1ccccc1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is PMERLICJIMCEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-18(2)23(16-20-11-7-4-8-12-20)21-13-14-22(17-21)15-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3.
What are the key properties of N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine?
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 308.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 163258237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).