2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C15H29N3O — CID 82959909

IUPAC2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(CCOC)C(C)C
InChIInChI=1S/C15H29N3O/c1-13(2)18(10-11-19-4)9-7-14-6-5-8-15(14,12-16)17-3/h13-14,17H,5-11H2,1-4H3
InChIKeyFXDOKRACDDREAG-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.02
Rot. Bonds8

About 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 82959909) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID82959909
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(CCOC)C(C)C
InChIInChI=1S/C15H29N3O/c1-13(2)18(10-11-19-4)9-7-14-6-5-8-15(14,12-16)17-3/h13-14,17H,5-11H2,1-4H3
InChIKeyFXDOKRACDDREAG-UHFFFAOYSA-N
XLogP2.02
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79565477
2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79564870
1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566158
[1-(cyclopropylamino)-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 82944341
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572611
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79565582
2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82006574
ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 82941282
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 105416538
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 82959909) is 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCN(CCOC)C(C)C.
What is the InChIKey of 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is FXDOKRACDDREAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)18(10-11-19-4)9-7-14-6-5-8-15(14,12-16)17-3/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 267.42 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 82959909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).