1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile

C15H26N2O — CID 79649738

IUPAC1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile
SMILESCC(C)(C)CCOC1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C15H26N2O/c1-14(2,3)8-9-18-13-6-7-15(10-13,11-16)17-12-4-5-12/h12-13,17H,4-10H2,1-3H3
InChIKeyNRPXPXQEROSPBP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.01
Rot. Bonds5

About 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile (PubChem CID 79649738) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile
PubChem CID79649738
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile
SMILESCC(C)(C)CCOC1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C15H26N2O/c1-14(2,3)8-9-18-13-6-7-15(10-13,11-16)17-12-4-5-12/h12-13,17H,4-10H2,1-3H3
InChIKeyNRPXPXQEROSPBP-UHFFFAOYSA-N
XLogP3.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile
CID 82956736
1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
CID 79625448
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
3-(cyclohexylmethoxy)-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79650525
1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
CID 79625232
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 112588934
1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 79638341
1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carbonitrile
CID 82789002
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639894
1-(cyclopropylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639825

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile (CID 79649738) is 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile is CC(C)(C)CCOC1CCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile?
The InChIKey is NRPXPXQEROSPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2,3)8-9-18-13-6-7-15(10-13,11-16)17-12-4-5-12/h12-13,17H,4-10H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79649738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).