(6-methoxycyclohexa-1,5-dien-1-yl)methanamine

C8H13NO — CID 89270761

IUPAC(6-methoxycyclohexa-1,5-dien-1-yl)methanamine
SMILESCOC1=CCCC=C1CN
InChIInChI=1S/C8H13NO/c1-10-8-5-3-2-4-7(8)6-9/h4-5H,2-3,6,9H2,1H3
InChIKeyRPCFQTFHUFGUBT-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.20
Rot. Bonds2

About (6-methoxycyclohexa-1,5-dien-1-yl)methanamine

(6-methoxycyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 89270761) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (6-methoxycyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(6-methoxycyclohexa-1,5-dien-1-yl)methanamine
PubChem CID89270761
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(6-methoxycyclohexa-1,5-dien-1-yl)methanamine
SMILESCOC1=CCCC=C1CN
InChIInChI=1S/C8H13NO/c1-10-8-5-3-2-4-7(8)6-9/h4-5H,2-3,6,9H2,1H3
InChIKeyRPCFQTFHUFGUBT-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
[6-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
CID 162559267
(5-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 18407338
(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
(7-methoxy-3H-isochromen-4-yl)methanamine
CID 88111455
(2E,3Z)-5-cyclohexa-1,3-dien-1-yloxy-2-ethylidenehexa-3,5-dien-1-amine
CID 88274875
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
(6-Methoxycyclohexa-1,3,4-trien-1-yl)methanamine
CID 89115899
(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine
CID 89139574
(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 89153922
4,5-Dimethoxycyclohexa-2,4-dien-1-amine
CID 89211055

Frequently Asked Questions

What is the IUPAC name of (6-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (6-methoxycyclohexa-1,5-dien-1-yl)methanamine (CID 89270761) is (6-methoxycyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (6-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (6-methoxycyclohexa-1,5-dien-1-yl)methanamine is COC1=CCCC=C1CN.
What is the InChIKey of (6-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is RPCFQTFHUFGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8-5-3-2-4-7(8)6-9/h4-5H,2-3,6,9H2,1H3.
What are the key properties of (6-methoxycyclohexa-1,5-dien-1-yl)methanamine?
(6-methoxycyclohexa-1,5-dien-1-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 89270761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).