N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine

C15H25N3 — CID 43089230

IUPACN-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H25N3/c1-17(2)11-9-16-15-8-10-18(13-15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyIHYAHYZDJBPUAU-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.41
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine

N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 43089230) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID43089230
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H25N3/c1-17(2)11-9-16-15-8-10-18(13-15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyIHYAHYZDJBPUAU-UHFFFAOYSA-N
XLogP1.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
CID 95197428
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine
CID 103709840

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine (CID 43089230) is N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is IHYAHYZDJBPUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)11-9-16-15-8-10-18(13-15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43089230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).