2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C17H32N4 — CID 105416538

IUPAC2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H32N4/c1-19-17(13-18)11-5-7-15(17)8-12-21(4)14-16(20(2)3)9-6-10-16/h15,19H,5-12,14H2,1-4H3
InChIKeyAEKHRRNXGONGPO-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.07
Rot. Bonds7

About 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 105416538) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID105416538
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H32N4/c1-19-17(13-18)11-5-7-15(17)8-12-21(4)14-16(20(2)3)9-6-10-16/h15,19H,5-12,14H2,1-4H3
InChIKeyAEKHRRNXGONGPO-UHFFFAOYSA-N
XLogP2.07
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79565582
1-(methylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
CID 79565415
1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566158
2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79573800
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
CID 105416596
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578119
1-(ethylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79575972
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile
CID 79576589

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 105416538) is 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is AEKHRRNXGONGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-19-17(13-18)11-5-7-15(17)8-12-21(4)14-16(20(2)3)9-6-10-16/h15,19H,5-12,14H2,1-4H3.
What are the key properties of 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 105416538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).