methanamine;4-methylcyclohexa-1,3-dien-1-ol

C8H15NO — CID 145403463

IUPACmethanamine;4-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC=C(O)CC1.CN
InChIInChI=1S/C7H10O.CH5N/c1-6-2-4-7(8)5-3-6;1-2/h2,4,8H,3,5H2,1H3;2H2,1H3
InChIKeyDQGSCGHHBVVOFI-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.74
Rot. Bonds

About methanamine;4-methylcyclohexa-1,3-dien-1-ol

methanamine;4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 145403463) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is methanamine;4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Namemethanamine;4-methylcyclohexa-1,3-dien-1-ol
PubChem CID145403463
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Namemethanamine;4-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC=C(O)CC1.CN
InChIInChI=1S/C7H10O.CH5N/c1-6-2-4-7(8)5-3-6;1-2/h2,4,8H,3,5H2,1H3;2H2,1H3
InChIKeyDQGSCGHHBVVOFI-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methanamine;4-methylcyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dimethylcyclohexa-1,3-dien-1-ol
CID 20534517
3,4-Dimethylcyclohexa-1,3-dien-1-ol
CID 54232129
2-Ethyl-4-methylcyclohexa-1,3-dien-1-ol
CID 135256899
Methane;4-methylcyclohexa-1,3-dien-1-ol
CID 142050116
4-(2-Aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol
CID 147371898
(3Z)-3-ethylidene-6-methyl-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol;methanamine
CID 153387748

Frequently Asked Questions

What is the IUPAC name of methanamine;4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of methanamine;4-methylcyclohexa-1,3-dien-1-ol (CID 145403463) is methanamine;4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for methanamine;4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for methanamine;4-methylcyclohexa-1,3-dien-1-ol is CC1=CC=C(O)CC1.CN.
What is the InChIKey of methanamine;4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is DQGSCGHHBVVOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.CH5N/c1-6-2-4-7(8)5-3-6;1-2/h2,4,8H,3,5H2,1H3;2H2,1H3.
What are the key properties of methanamine;4-methylcyclohexa-1,3-dien-1-ol?
methanamine;4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 141.21 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 145403463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).