azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile

C19H28N2O2 — CID 70075700

IUPACazane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile
SMILESCOc1ccc(C2(C#N)CCC(C)CC2)cc1OCC1CC1.N
InChIInChI=1S/C19H25NO2.H3N/c1-14-7-9-19(13-20,10-8-14)16-5-6-17(21-2)18(11-16)22-12-15-3-4-15;/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3;1H3
InChIKeyFVPNYSRHUVXKSM-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.62
Rot. Bonds5

About azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile

azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile (PubChem CID 70075700) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Nameazane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile
PubChem CID70075700
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Nameazane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile
SMILESCOc1ccc(C2(C#N)CCC(C)CC2)cc1OCC1CC1.N
InChIInChI=1S/C19H25NO2.H3N/c1-14-7-9-19(13-20,10-8-14)16-5-6-17(21-2)18(11-16)22-12-15-3-4-15;/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3;1H3
InChIKeyFVPNYSRHUVXKSM-UHFFFAOYSA-N
XLogP4.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile (CID 70075700) is azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile is COc1ccc(C2(C#N)CCC(C)CC2)cc1OCC1CC1.N.
What is the InChIKey of azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is FVPNYSRHUVXKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.H3N/c1-14-7-9-19(13-20,10-8-14)16-5-6-17(21-2)18(11-16)22-12-15-3-4-15;/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3;1H3.
What are the key properties of azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile?
azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 316.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 70075700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).