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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Related Compounds

cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
1,3,5-trimethylcyclododecane
CID 123355776
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
methane;1,2,4-trimethylcyclopentane
CID 157268000
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene
CID 157204213
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580

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).