acetonitrile;cyclohexanamine;ethane

C10H22N2 — CID 142319693

IUPACacetonitrile;cyclohexanamine;ethane
SMILESCC.CC#N.NC1CCCCC1
InChIInChI=1S/C6H13N.C2H3N.C2H6/c7-6-4-2-1-3-5-6;1-2-3;1-2/h6H,1-5,7H2;1H3;1-2H3
InChIKeyAFTJZFAKADBYOL-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.83
Rot. Bonds

About acetonitrile;cyclohexanamine;ethane

acetonitrile;cyclohexanamine;ethane (PubChem CID 142319693) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is acetonitrile;cyclohexanamine;ethane.

Molecular Properties

Compound Nameacetonitrile;cyclohexanamine;ethane
PubChem CID142319693
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameacetonitrile;cyclohexanamine;ethane
SMILESCC.CC#N.NC1CCCCC1
InChIInChI=1S/C6H13N.C2H3N.C2H6/c7-6-4-2-1-3-5-6;1-2-3;1-2/h6H,1-5,7H2;1H3;1-2H3
InChIKeyAFTJZFAKADBYOL-UHFFFAOYSA-N
XLogP2.83
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;cyclohexanamine;ethane?
The IUPAC name of acetonitrile;cyclohexanamine;ethane (CID 142319693) is acetonitrile;cyclohexanamine;ethane.
What is the SMILES notation for acetonitrile;cyclohexanamine;ethane?
The canonical SMILES for acetonitrile;cyclohexanamine;ethane is CC.CC#N.NC1CCCCC1.
What is the InChIKey of acetonitrile;cyclohexanamine;ethane?
The InChIKey is AFTJZFAKADBYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H3N.C2H6/c7-6-4-2-1-3-5-6;1-2-3;1-2/h6H,1-5,7H2;1H3;1-2H3.
What are the key properties of acetonitrile;cyclohexanamine;ethane?
acetonitrile;cyclohexanamine;ethane has a molecular weight of 170.30 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;cyclohexanamine;ethane is sourced from PubChem (CID 142319693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).