1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen

C11H24N2 — CID 142227527

IUPAC1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen
SMILESCC.N#CC1(N)CCCCCCC1.[H][H]
InChIInChI=1S/C9H16N2.C2H6.H2/c10-8-9(11)6-4-2-1-3-5-7-9;1-2;/h1-7,11H2;1-2H3;1H
InChIKeyNWJARFCMOMITEF-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.22
Rot. Bonds

About 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen

1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen (PubChem CID 142227527) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen.

Molecular Properties

Compound Name1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen
PubChem CID142227527
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen
SMILESCC.N#CC1(N)CCCCCCC1.[H][H]
InChIInChI=1S/C9H16N2.C2H6.H2/c10-8-9(11)6-4-2-1-3-5-7-9;1-2;/h1-7,11H2;1-2H3;1H
InChIKeyNWJARFCMOMITEF-UHFFFAOYSA-N
XLogP3.22
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Amino-2-methyloctanenitrile
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2-Amino-2-propylpentanenitrile
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1-Hexylcyclooctan-1-amine
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1-ethylCyclooctanamine
CID 20202300
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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen?
The IUPAC name of 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen (CID 142227527) is 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen.
What is the SMILES notation for 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen?
The canonical SMILES for 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen is CC.N#CC1(N)CCCCCCC1.[H][H].
What is the InChIKey of 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen?
The InChIKey is NWJARFCMOMITEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6.H2/c10-8-9(11)6-4-2-1-3-5-7-9;1-2;/h1-7,11H2;1-2H3;1H.
What are the key properties of 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen?
1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen has a molecular weight of 184.33 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen is sourced from PubChem (CID 142227527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).