(6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine

C8H13NO — CID 123386515

IUPAC(6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine
SMILESCC1CC=CC=C1OCN
InChIInChI=1S/C8H13NO/c1-7-4-2-3-5-8(7)10-6-9/h2-3,5,7H,4,6,9H2,1H3
InChIKeyQARONWFIZDRUOL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.40
Rot. Bonds2

About (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine

(6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine (PubChem CID 123386515) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine.

Molecular Properties

Compound Name(6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine
PubChem CID123386515
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine
SMILESCC1CC=CC=C1OCN
InChIInChI=1S/C8H13NO/c1-7-4-2-3-5-8(7)10-6-9/h2-3,5,7H,4,6,9H2,1H3
InChIKeyQARONWFIZDRUOL-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine?
The IUPAC name of (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine (CID 123386515) is (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine.
What is the SMILES notation for (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine?
The canonical SMILES for (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine is CC1CC=CC=C1OCN.
What is the InChIKey of (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine?
The InChIKey is QARONWFIZDRUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-4-2-3-5-8(7)10-6-9/h2-3,5,7H,4,6,9H2,1H3.
What are the key properties of (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine?
(6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine has a molecular weight of 139.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohexa-1,3-dien-1-yl)oxymethanamine is sourced from PubChem (CID 123386515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).