2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile

C12H22N2O — CID 114941959

IUPAC2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
SMILESCCOC(C)(C)CNC1CCCC1C#N
InChIInChI=1S/C12H22N2O/c1-4-15-12(2,3)9-14-11-7-5-6-10(11)8-13/h10-11,14H,4-7,9H2,1-3H3
InChIKeySYNJMRZAHDIRQZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds5

About 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile

2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile (PubChem CID 114941959) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
PubChem CID114941959
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
SMILESCCOC(C)(C)CNC1CCCC1C#N
InChIInChI=1S/C12H22N2O/c1-4-15-12(2,3)9-14-11-7-5-6-10(11)8-13/h10-11,14H,4-7,9H2,1-3H3
InChIKeySYNJMRZAHDIRQZ-UHFFFAOYSA-N
XLogP2.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
trans-(1S,2S)-2-[(2-ethoxy-2-methylpropyl)amino]cyclohexan-1-ol
CID 102731780
2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 106675432
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859503
2-(3-ethylpentan-3-ylamino)cycloheptane-1-carbonitrile
CID 65039485
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 103917793
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
CID 114756575
2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile
CID 114119443

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile (CID 114941959) is 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile is CCOC(C)(C)CNC1CCCC1C#N.
What is the InChIKey of 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is SYNJMRZAHDIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-15-12(2,3)9-14-11-7-5-6-10(11)8-13/h10-11,14H,4-7,9H2,1-3H3.
What are the key properties of 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile?
2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 210.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 114941959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).