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

C8H13NO — CID 18407338

IUPAC(5-methoxycyclohexa-1,5-dien-1-yl)methanamine
SMILESCOC1=CC(CN)=CCC1
InChIInChI=1S/C8H13NO/c1-10-8-4-2-3-7(5-8)6-9/h3,5H,2,4,6,9H2,1H3
InChIKeyQNJXEMMRQCENBP-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.20
Rot. Bonds2

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

(5-methoxycyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 18407338) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (5-methoxycyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5-methoxycyclohexa-1,5-dien-1-yl)methanamine
PubChem CID18407338
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(5-methoxycyclohexa-1,5-dien-1-yl)methanamine
SMILESCOC1=CC(CN)=CCC1
InChIInChI=1S/C8H13NO/c1-10-8-4-2-3-7(5-8)6-9/h3,5H,2,4,6,9H2,1H3
InChIKeyQNJXEMMRQCENBP-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

[2-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
CID 177150022
N-(3-methoxy-2-cyclohexenylidene)ethylamine
CID 129784528
(4-Methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 66581252
1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 70325193
(5-Cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine
CID 70334331
(6-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 89270761
8-Methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine
CID 123211860
5-Methoxy-2-methylhepta-2,4-dien-1-amine
CID 123747558
(2,6-dimethyl-4H-pyran-3-yl)methanamine
CID 140731358
Ethanamine;1-methoxycyclohexa-1,3-diene
CID 141968490
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
(2Z)-3-methoxy-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 143128874

Frequently Asked Questions

What is the IUPAC name of (5-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (5-methoxycyclohexa-1,5-dien-1-yl)methanamine (CID 18407338) is (5-methoxycyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (5-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (5-methoxycyclohexa-1,5-dien-1-yl)methanamine is COC1=CC(CN)=CCC1.
What is the InChIKey of (5-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is QNJXEMMRQCENBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8-4-2-3-7(5-8)6-9/h3,5H,2,4,6,9H2,1H3.
What are the key properties of (5-methoxycyclohexa-1,5-dien-1-yl)methanamine?
(5-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 (5-methoxycyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 18407338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).