acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane

C12H26N2 — CID 142051471

IUPACacetonitrile;N,1-dimethylcyclohexan-1-amine;ethane
SMILESCC.CC#N.CNC1(C)CCCCC1
InChIInChI=1S/C8H17N.C2H3N.C2H6/c1-8(9-2)6-4-3-5-7-8;1-2-3;1-2/h9H,3-7H2,1-2H3;1H3;1-2H3
InChIKeyMZOKGYLOXCRYJW-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.48
Rot. Bonds1

About acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane

acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane (PubChem CID 142051471) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane.

Molecular Properties

Compound Nameacetonitrile;N,1-dimethylcyclohexan-1-amine;ethane
PubChem CID142051471
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameacetonitrile;N,1-dimethylcyclohexan-1-amine;ethane
SMILESCC.CC#N.CNC1(C)CCCCC1
InChIInChI=1S/C8H17N.C2H3N.C2H6/c1-8(9-2)6-4-3-5-7-8;1-2-3;1-2/h9H,3-7H2,1-2H3;1H3;1-2H3
InChIKeyMZOKGYLOXCRYJW-UHFFFAOYSA-N
XLogP3.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane?
The IUPAC name of acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane (CID 142051471) is acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane.
What is the SMILES notation for acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane?
The canonical SMILES for acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane is CC.CC#N.CNC1(C)CCCCC1.
What is the InChIKey of acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane?
The InChIKey is MZOKGYLOXCRYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H3N.C2H6/c1-8(9-2)6-4-3-5-7-8;1-2-3;1-2/h9H,3-7H2,1-2H3;1H3;1-2H3.
What are the key properties of acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane?
acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane has a molecular weight of 198.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane is sourced from PubChem (CID 142051471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).