3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide

C15H23N3O — CID 67646365

IUPAC3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide
SMILESCCCC1(CCC)C(C#N)CC(C(N)=O)CC1C#N
InChIInChI=1S/C15H23N3O/c1-3-5-15(6-4-2)12(9-16)7-11(14(18)19)8-13(15)10-17/h11-13H,3-8H2,1-2H3,(H2,18,19)
InChIKeyRYJTUEZSQBBVFJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.75
Rot. Bonds5

About 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide

3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide (PubChem CID 67646365) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide
PubChem CID67646365
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide
SMILESCCCC1(CCC)C(C#N)CC(C(N)=O)CC1C#N
InChIInChI=1S/C15H23N3O/c1-3-5-15(6-4-2)12(9-16)7-11(14(18)19)8-13(15)10-17/h11-13H,3-8H2,1-2H3,(H2,18,19)
InChIKeyRYJTUEZSQBBVFJ-UHFFFAOYSA-N
XLogP2.75
TPSA90.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide?
The IUPAC name of 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide (CID 67646365) is 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide.
What is the SMILES notation for 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide?
The canonical SMILES for 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide is CCCC1(CCC)C(C#N)CC(C(N)=O)CC1C#N.
What is the InChIKey of 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide?
The InChIKey is RYJTUEZSQBBVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-5-15(6-4-2)12(9-16)7-11(14(18)19)8-13(15)10-17/h11-13H,3-8H2,1-2H3,(H2,18,19).
What are the key properties of 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide?
3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide is sourced from PubChem (CID 67646365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).