1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile

C14H24N2O — CID 79625232

IUPAC1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
SMILESCC(C)(C)OC1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H24N2O/c1-13(2,3)17-12-5-4-8-14(9-12,10-15)16-11-6-7-11/h11-12,16H,4-9H2,1-3H3
InChIKeyKLWGCKWXXQNRTN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.76
Rot. Bonds3

About 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile (PubChem CID 79625232) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
PubChem CID79625232
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
SMILESCC(C)(C)OC1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H24N2O/c1-13(2,3)17-12-5-4-8-14(9-12,10-15)16-11-6-7-11/h11-12,16H,4-9H2,1-3H3
InChIKeyKLWGCKWXXQNRTN-UHFFFAOYSA-N
XLogP2.76
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexane-1-carbonitrile
CID 79637002
1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79625528
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
1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile
CID 79649738
1-(cyclopropylamino)-3-(2,3-dimethylphenoxy)cyclohexane-1-carbonitrile
CID 79626720
1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexane-1-carbonitrile
CID 79636998
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-(cyclopropylamino)-3-[4-(hydroxymethyl)phenoxy]cyclohexane-1-carbonitrile
CID 79626729
3-(cyclohexylmethoxy)-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79650525
1-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)cyclohexane-1-carbonitrile
CID 79636237

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile (CID 79625232) is 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile is CC(C)(C)OC1CCCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile?
The InChIKey is KLWGCKWXXQNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,3)17-12-5-4-8-14(9-12,10-15)16-11-6-7-11/h11-12,16H,4-9H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).