N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride

C18H30ClN3 — CID 75511156

IUPACN'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)C1CCC2CN(Cc3ccccc3)CC21.Cl
InChIInChI=1S/C18H29N3.ClH/c1-19-10-11-20(2)18-9-8-16-13-21(14-17(16)18)12-15-6-4-3-5-7-15;/h3-7,16-19H,8-14H2,1-2H3;1H
InChIKeyZALBFQFXSINJQZ-UHFFFAOYSA-N
MW323.91 g/mol
LogP2.47
Rot. Bonds6

About N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride

N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 75511156) has the molecular formula C18H30ClN3 and a molecular weight of 323.91 g/mol. Its IUPAC name is N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID75511156
Molecular FormulaC18H30ClN3
Molecular Weight323.91 g/mol
Exact Mass323.21
IUPAC NameN'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)C1CCC2CN(Cc3ccccc3)CC21.Cl
InChIInChI=1S/C18H29N3.ClH/c1-19-10-11-20(2)18-9-8-16-13-21(14-17(16)18)12-15-6-4-3-5-7-15;/h3-7,16-19H,8-14H2,1-2H3;1H
InChIKeyZALBFQFXSINJQZ-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

2-benzyl-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;dihydrochloride
CID 126845066
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CID 70581599
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
N-[2-[[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]ethyl]acetamide
CID 99579246
(3aR,4S,7aR)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 98166877
(3aR,4R,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82390798
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)thiourea
CID 130624142
(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl) methanesulfonate
CID 87063934
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride (CID 75511156) is N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride is CNCCN(C)C1CCC2CN(Cc3ccccc3)CC21.Cl.
What is the InChIKey of N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is ZALBFQFXSINJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3.ClH/c1-19-10-11-20(2)18-9-8-16-13-21(14-17(16)18)12-15-6-4-3-5-7-15;/h3-7,16-19H,8-14H2,1-2H3;1H.
What are the key properties of N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride?
N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 323.91 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 75511156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).