methanamine;1-methylcyclohexa-1,3-diene

C8H15N — CID 142425195

IUPACmethanamine;1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1.CN
InChIInChI=1S/C7H10.CH5N/c1-7-5-3-2-4-6-7;1-2/h2-3,5H,4,6H2,1H3;2H2,1H3
InChIKeyHAEPRIIPCVNJKS-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds

About methanamine;1-methylcyclohexa-1,3-diene

methanamine;1-methylcyclohexa-1,3-diene (PubChem CID 142425195) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is methanamine;1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Namemethanamine;1-methylcyclohexa-1,3-diene
PubChem CID142425195
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Namemethanamine;1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1.CN
InChIInChI=1S/C7H10.CH5N/c1-7-5-3-2-4-6-7;1-2/h2-3,5H,4,6H2,1H3;2H2,1H3
InChIKeyHAEPRIIPCVNJKS-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methylcyclohexa-1,3-diene
CID 91025584
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
1-(trideuteriomethyl)cyclohexa-1,3-diene
CID 154587869
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679
1,6-dimethylcyclodeca-1,3,7-triene
CID 91114782
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
CID 156750988
(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene
CID 144585615
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137

Frequently Asked Questions

What is the IUPAC name of methanamine;1-methylcyclohexa-1,3-diene?
The IUPAC name of methanamine;1-methylcyclohexa-1,3-diene (CID 142425195) is methanamine;1-methylcyclohexa-1,3-diene.
What is the SMILES notation for methanamine;1-methylcyclohexa-1,3-diene?
The canonical SMILES for methanamine;1-methylcyclohexa-1,3-diene is CC1=CC=CCC1.CN.
What is the InChIKey of methanamine;1-methylcyclohexa-1,3-diene?
The InChIKey is HAEPRIIPCVNJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.CH5N/c1-7-5-3-2-4-6-7;1-2/h2-3,5H,4,6H2,1H3;2H2,1H3.
What are the key properties of methanamine;1-methylcyclohexa-1,3-diene?
methanamine;1-methylcyclohexa-1,3-diene has a molecular weight of 125.21 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142425195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).