6-amino-2-cyclohexylhex-5-enenitrile

C12H20N2 — CID 67545302

IUPAC6-amino-2-cyclohexylhex-5-enenitrile
SMILESN#CC(CCC=CN)C1CCCCC1
InChIInChI=1S/C12H20N2/c13-9-5-4-8-12(10-14)11-6-2-1-3-7-11/h5,9,11-12H,1-4,6-8,13H2
InChIKeyCNEHWHWWBZIDIJ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.96
Rot. Bonds4

About 6-amino-2-cyclohexylhex-5-enenitrile

6-amino-2-cyclohexylhex-5-enenitrile (PubChem CID 67545302) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 6-amino-2-cyclohexylhex-5-enenitrile.

Molecular Properties

Compound Name6-amino-2-cyclohexylhex-5-enenitrile
PubChem CID67545302
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name6-amino-2-cyclohexylhex-5-enenitrile
SMILESN#CC(CCC=CN)C1CCCCC1
InChIInChI=1S/C12H20N2/c13-9-5-4-8-12(10-14)11-6-2-1-3-7-11/h5,9,11-12H,1-4,6-8,13H2
InChIKeyCNEHWHWWBZIDIJ-UHFFFAOYSA-N
XLogP2.96
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-cyclohexylhex-5-enenitrile?
The IUPAC name of 6-amino-2-cyclohexylhex-5-enenitrile (CID 67545302) is 6-amino-2-cyclohexylhex-5-enenitrile.
What is the SMILES notation for 6-amino-2-cyclohexylhex-5-enenitrile?
The canonical SMILES for 6-amino-2-cyclohexylhex-5-enenitrile is N#CC(CCC=CN)C1CCCCC1.
What is the InChIKey of 6-amino-2-cyclohexylhex-5-enenitrile?
The InChIKey is CNEHWHWWBZIDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c13-9-5-4-8-12(10-14)11-6-2-1-3-7-11/h5,9,11-12H,1-4,6-8,13H2.
What are the key properties of 6-amino-2-cyclohexylhex-5-enenitrile?
6-amino-2-cyclohexylhex-5-enenitrile has a molecular weight of 192.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-cyclohexylhex-5-enenitrile is sourced from PubChem (CID 67545302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).