1-(dimethylamino)cyclooctane-1-carbonitrile

C11H20N2 — CID 43802603

IUPAC1-(dimethylamino)cyclooctane-1-carbonitrile
SMILESCN(C)C1(C#N)CCCCCCC1
InChIInChI=1S/C11H20N2/c1-13(2)11(10-12)8-6-4-3-5-7-9-11/h3-9H2,1-2H3
InChIKeyJAXWSLWIKNMKOX-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds1

About 1-(dimethylamino)cyclooctane-1-carbonitrile

1-(dimethylamino)cyclooctane-1-carbonitrile (PubChem CID 43802603) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(dimethylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(dimethylamino)cyclooctane-1-carbonitrile
PubChem CID43802603
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(dimethylamino)cyclooctane-1-carbonitrile
SMILESCN(C)C1(C#N)CCCCCCC1
InChIInChI=1S/C11H20N2/c1-13(2)11(10-12)8-6-4-3-5-7-9-11/h3-9H2,1-2H3
InChIKeyJAXWSLWIKNMKOX-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-cyanocyclopentyl)-N-methylacetamide
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1-(dimethylamino)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 62709212
4-(dimethylamino)-1-propylazepane-4-carbonitrile
CID 65077380
3-(dimethylamino)-1,1-dioxothiolane-3-carbonitrile
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1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile
CID 130766360
N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide
CID 82129288
(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 7131211
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267
1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 117039634
N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide
CID 52689443

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(dimethylamino)cyclooctane-1-carbonitrile (CID 43802603) is 1-(dimethylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(dimethylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(dimethylamino)cyclooctane-1-carbonitrile is CN(C)C1(C#N)CCCCCCC1.
What is the InChIKey of 1-(dimethylamino)cyclooctane-1-carbonitrile?
The InChIKey is JAXWSLWIKNMKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-13(2)11(10-12)8-6-4-3-5-7-9-11/h3-9H2,1-2H3.
What are the key properties of 1-(dimethylamino)cyclooctane-1-carbonitrile?
1-(dimethylamino)cyclooctane-1-carbonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 43802603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).