2-(dimethylamino)cycloheptane-1-carbonitrile

C10H18N2 — CID 43291764

IUPAC2-(dimethylamino)cycloheptane-1-carbonitrile
SMILESCN(C)C1CCCCCC1C#N
InChIInChI=1S/C10H18N2/c1-12(2)10-7-5-3-4-6-9(10)8-11/h9-10H,3-7H2,1-2H3
InChIKeySDJFGOLPTLYMID-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds1

About 2-(dimethylamino)cycloheptane-1-carbonitrile

2-(dimethylamino)cycloheptane-1-carbonitrile (PubChem CID 43291764) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(dimethylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)cycloheptane-1-carbonitrile
PubChem CID43291764
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(dimethylamino)cycloheptane-1-carbonitrile
SMILESCN(C)C1CCCCCC1C#N
InChIInChI=1S/C10H18N2/c1-12(2)10-7-5-3-4-6-9(10)8-11/h9-10H,3-7H2,1-2H3
InChIKeySDJFGOLPTLYMID-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(dimethylamino)cycloheptane-1-carbonitrile (CID 43291764) is 2-(dimethylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(dimethylamino)cycloheptane-1-carbonitrile is CN(C)C1CCCCCC1C#N.
What is the InChIKey of 2-(dimethylamino)cycloheptane-1-carbonitrile?
The InChIKey is SDJFGOLPTLYMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12(2)10-7-5-3-4-6-9(10)8-11/h9-10H,3-7H2,1-2H3.
What are the key properties of 2-(dimethylamino)cycloheptane-1-carbonitrile?
2-(dimethylamino)cycloheptane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 43291764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).