2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile

C12H22N2O — CID 106675432

IUPAC2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile
SMILESCOC(C)(C)CCNC1CCCC1C#N
InChIInChI=1S/C12H22N2O/c1-12(2,15-3)7-8-14-11-6-4-5-10(11)9-13/h10-11,14H,4-8H2,1-3H3
InChIKeyGWBGEKMFSOLOEL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds5

About 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile

2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile (PubChem CID 106675432) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile
PubChem CID106675432
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile
SMILESCOC(C)(C)CCNC1CCCC1C#N
InChIInChI=1S/C12H22N2O/c1-12(2,15-3)7-8-14-11-6-4-5-10(11)9-13/h10-11,14H,4-8H2,1-3H3
InChIKeyGWBGEKMFSOLOEL-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-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 114941959
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
CID 115903557
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986
2-(7-methyloctylamino)cyclohexane-1-carbonitrile
CID 107814920
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile
CID 63828405
N-(3-methoxy-3-methylbutyl)-2,6-dimethylpiperidin-1-amine
CID 103033530
2-cyclopropyl-N-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103581014

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile (CID 106675432) is 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile is COC(C)(C)CCNC1CCCC1C#N.
What is the InChIKey of 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is GWBGEKMFSOLOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,15-3)7-8-14-11-6-4-5-10(11)9-13/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile?
2-[(3-methoxy-3-methylbutyl)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-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 106675432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).