2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile

C9H16N2O — CID 106872820

IUPAC2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCCC1OC
InChIInChI=1S/C9H16N2O/c1-11-9(7-10)6-4-3-5-8(9)12-2/h8,11H,3-6H2,1-2H3
InChIKeyHESRSJYYJWWMFE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.06
Rot. Bonds2

About 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile

2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile (PubChem CID 106872820) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile
PubChem CID106872820
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCCC1OC
InChIInChI=1S/C9H16N2O/c1-11-9(7-10)6-4-3-5-8(9)12-2/h8,11H,3-6H2,1-2H3
InChIKeyHESRSJYYJWWMFE-UHFFFAOYSA-N
XLogP1.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(butan-2-ylamino)-2-methoxycyclohexane-1-carbonitrile
CID 106872921
2-methyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115025
1-(2-bromoanilino)-2-methoxycyclohexane-1-carbonitrile
CID 106872842
1-hydroxy-2-methoxycyclohexane-1-carbonitrile
CID 86013365
1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile
CID 106872940
2-methoxycyclohexane-1,1-diamine
CID 22418278
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
3-(1-hydroxy-2-methoxycyclohexyl)-1,1-dioxothiolane-3-carbonitrile
CID 106874771
1-(1,4-diazepan-1-yl)-2-methoxycyclohexane-1-carbonitrile
CID 106872853
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967
1-(methylamino)cyclopentane-1-carbonitrile
CID 12945445

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile (CID 106872820) is 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile is CNC1(C#N)CCCCC1OC.
What is the InChIKey of 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile?
The InChIKey is HESRSJYYJWWMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-9(7-10)6-4-3-5-8(9)12-2/h8,11H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile?
2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile has a molecular weight of 168.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 106872820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).