4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol

C8H13NO — CID 143064786

IUPAC4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=CC(CN)CC=C1O
InChIInChI=1S/C8H13NO/c1-6-4-7(5-9)2-3-8(6)10/h3-4,7,10H,2,5,9H2,1H3
InChIKeyLVXVWJOTCYAKDH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.35
Rot. Bonds1

About 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol

4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol (PubChem CID 143064786) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol
PubChem CID143064786
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=CC(CN)CC=C1O
InChIInChI=1S/C8H13NO/c1-6-4-7(5-9)2-3-8(6)10/h3-4,7,10H,2,5,9H2,1H3
InChIKeyLVXVWJOTCYAKDH-UHFFFAOYSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1h]Tyramine
CID 129679817
4-(2-Aminoethyl)-1,6-dimethylcyclohexa-2,4-diene-1,2-diol
CID 69919969
6-(Aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 70419112
(2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol
CID 88964788
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(3Z,5E)-8-amino-6-methylocta-1,3,5-triene-3,4-diol
CID 89679060
(3E)-7-amino-4-methylhepta-1,3-dien-2-ol
CID 89719801
3-(2-Aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol
CID 118146993
4-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 135251477
(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol
CID 142872806
3-(2-Aminoethyl)cyclohexa-1,5-dien-1-ol
CID 143967938
(3E,5Z)-3-(2-aminoethyl)-5-methylhepta-1,3,5-trien-4-ol
CID 145606964

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol (CID 143064786) is 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol is CC1=CC(CN)CC=C1O.
What is the InChIKey of 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is LVXVWJOTCYAKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-7(5-9)2-3-8(6)10/h3-4,7,10H,2,5,9H2,1H3.
What are the key properties of 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol?
4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 143064786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).