N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane

C14H24N2O — CID 144624766

IUPACN-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane
SMILESCC.CC1CCC(C(=O)NC2(C#N)CC2)CC1
InChIInChI=1S/C12H18N2O.C2H6/c1-9-2-4-10(5-3-9)11(15)14-12(8-13)6-7-12;1-2/h9-10H,2-7H2,1H3,(H,14,15);1-2H3
InChIKeyUIGHBPJJTGCNJK-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds2

About N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane

N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane (PubChem CID 144624766) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane
PubChem CID144624766
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane
SMILESCC.CC1CCC(C(=O)NC2(C#N)CC2)CC1
InChIInChI=1S/C12H18N2O.C2H6/c1-9-2-4-10(5-3-9)11(15)14-12(8-13)6-7-12;1-2/h9-10H,2-7H2,1H3,(H,14,15);1-2H3
InChIKeyUIGHBPJJTGCNJK-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane?
The IUPAC name of N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane (CID 144624766) is N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane.
What is the SMILES notation for N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane?
The canonical SMILES for N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane is CC.CC1CCC(C(=O)NC2(C#N)CC2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane?
The InChIKey is UIGHBPJJTGCNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-9-2-4-10(5-3-9)11(15)14-12(8-13)6-7-12;1-2/h9-10H,2-7H2,1H3,(H,14,15);1-2H3.
What are the key properties of N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane?
N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane has a molecular weight of 236.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide;ethane is sourced from PubChem (CID 144624766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).