(6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol

C8H13NO — CID 89381405

IUPAC(6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol
SMILESC[C@@H]1C=C(CN)C=CC1O
InChIInChI=1S/C8H13NO/c1-6-4-7(5-9)2-3-8(6)10/h2-4,6,8,10H,5,9H2,1H3/t6-,8?/m1/s1
InChIKeyMMSUPQMFSOHFOE-XPJFZRNWSA-N
MW139.20 g/mol
LogP0.44
Rot. Bonds1

About (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol

(6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 89381405) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID89381405
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol
SMILESC[C@@H]1C=C(CN)C=CC1O
InChIInChI=1S/C8H13NO/c1-6-4-7(5-9)2-3-8(6)10/h2-4,6,8,10H,5,9H2,1H3/t6-,8?/m1/s1
InChIKeyMMSUPQMFSOHFOE-XPJFZRNWSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol (CID 89381405) is (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol is C[C@@H]1C=C(CN)C=CC1O.
What is the InChIKey of (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is MMSUPQMFSOHFOE-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-7(5-9)2-3-8(6)10/h2-4,6,8,10H,5,9H2,1H3/t6-,8?/m1/s1.
What are the key properties of (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol?
(6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89381405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).