(2-methoxycyclohexa-2,4-dien-1-yl)methanamine

C8H13NO — CID 88982778

IUPAC(2-methoxycyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=CC=CCC1CN
InChIInChI=1S/C8H13NO/c1-10-8-5-3-2-4-7(8)6-9/h2-3,5,7H,4,6,9H2,1H3
InChIKeyHTISQEQZYCJJSB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.05
Rot. Bonds2

About (2-methoxycyclohexa-2,4-dien-1-yl)methanamine

(2-methoxycyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 88982778) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2-methoxycyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(2-methoxycyclohexa-2,4-dien-1-yl)methanamine
PubChem CID88982778
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2-methoxycyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=CC=CCC1CN
InChIInChI=1S/C8H13NO/c1-10-8-5-3-2-4-7(8)6-9/h2-3,5,7H,4,6,9H2,1H3
InChIKeyHTISQEQZYCJJSB-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluoro-2-methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 164590007
2-(3-Methoxycyclohexa-2,5-dien-1-yl)ethanamine
CID 20613676
[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine
CID 89316193
(E)-2-ethenyl-4-methoxyhex-4-en-1-amine
CID 89520823
(4-Methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 89671964
(6-Methylcyclohexa-1,3-dien-1-yl)oxymethanamine
CID 123386515
(2,4-Dimethoxycyclohexa-2,4-dien-1-yl)methanamine
CID 130223649
(5-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 141090289
Ethanamine;1-methoxycyclohexa-1,3-diene
CID 141968490
3-Cyclohexa-1,3-dien-1-yloxypropan-1-amine
CID 173410649
(2-Methoxycyclohexa-2,5-dien-1-yl)methanamine
CID 55288691

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (2-methoxycyclohexa-2,4-dien-1-yl)methanamine (CID 88982778) is (2-methoxycyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (2-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (2-methoxycyclohexa-2,4-dien-1-yl)methanamine is COC1=CC=CCC1CN.
What is the InChIKey of (2-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is HTISQEQZYCJJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8-5-3-2-4-7(8)6-9/h2-3,5,7H,4,6,9H2,1H3.
What are the key properties of (2-methoxycyclohexa-2,4-dien-1-yl)methanamine?
(2-methoxycyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 88982778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).