formonitrile;1,3,5-trimethylcyclohexane

C10H19N — CID 174384733

IUPACformonitrile;1,3,5-trimethylcyclohexane
SMILESC#N.CC1CC(C)CC(C)C1
InChIInChI=1S/C9H18.CHN/c1-7-4-8(2)6-9(3)5-7;1-2/h7-9H,4-6H2,1-3H3;1H
InChIKeyGHDHIWSQWFIMQV-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.22
Rot. Bonds

About formonitrile;1,3,5-trimethylcyclohexane

formonitrile;1,3,5-trimethylcyclohexane (PubChem CID 174384733) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is formonitrile;1,3,5-trimethylcyclohexane.

Molecular Properties

Compound Nameformonitrile;1,3,5-trimethylcyclohexane
PubChem CID174384733
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameformonitrile;1,3,5-trimethylcyclohexane
SMILESC#N.CC1CC(C)CC(C)C1
InChIInChI=1S/C9H18.CHN/c1-7-4-8(2)6-9(3)5-7;1-2/h7-9H,4-6H2,1-3H3;1H
InChIKeyGHDHIWSQWFIMQV-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of formonitrile;1,3,5-trimethylcyclohexane?
The IUPAC name of formonitrile;1,3,5-trimethylcyclohexane (CID 174384733) is formonitrile;1,3,5-trimethylcyclohexane.
What is the SMILES notation for formonitrile;1,3,5-trimethylcyclohexane?
The canonical SMILES for formonitrile;1,3,5-trimethylcyclohexane is C#N.CC1CC(C)CC(C)C1.
What is the InChIKey of formonitrile;1,3,5-trimethylcyclohexane?
The InChIKey is GHDHIWSQWFIMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.CHN/c1-7-4-8(2)6-9(3)5-7;1-2/h7-9H,4-6H2,1-3H3;1H.
What are the key properties of formonitrile;1,3,5-trimethylcyclohexane?
formonitrile;1,3,5-trimethylcyclohexane has a molecular weight of 153.27 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1,3,5-trimethylcyclohexane is sourced from PubChem (CID 174384733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).