4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol

C8H13NO — CID 144673112

IUPAC4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
SMILESCNCC1=CC=C(O)CC1
InChIInChI=1S/C8H13NO/c1-9-6-7-2-4-8(10)5-3-7/h2,4,9-10H,3,5-6H2,1H3
InChIKeyPNGVIVQYBVKQLV-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.37
Rot. Bonds2

About 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol

4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 144673112) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
PubChem CID144673112
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
SMILESCNCC1=CC=C(O)CC1
InChIInChI=1S/C8H13NO/c1-9-6-7-2-4-8(10)5-3-7/h2,4,9-10H,3,5-6H2,1H3
InChIKeyPNGVIVQYBVKQLV-UHFFFAOYSA-N
XLogP1.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 145221898
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
4-[2-(Methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 143147802
3-(Methylaminomethyl)cyclohexa-1,3-dien-1-ol
CID 143349340
2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-ol
CID 144441576
1,2,3,4,5,6-Hexahydroisoquinolin-7-ol
CID 156355669

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol (CID 144673112) is 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol is CNCC1=CC=C(O)CC1.
What is the InChIKey of 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is PNGVIVQYBVKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-6-7-2-4-8(10)5-3-7/h2,4,9-10H,3,5-6H2,1H3.
What are the key properties of 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 144673112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).