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

C8H13NO — CID 67613783

IUPAC(1-methoxycyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1(CN)C=CC=CC1
InChIInChI=1S/C8H13NO/c1-10-8(7-9)5-3-2-4-6-8/h2-5H,6-7,9H2,1H3
InChIKeyKGBKPCUGIDTVGP-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.85
Rot. Bonds2

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

(1-methoxycyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 67613783) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1-methoxycyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(1-methoxycyclohexa-2,4-dien-1-yl)methanamine
PubChem CID67613783
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1-methoxycyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1(CN)C=CC=CC1
InChIInChI=1S/C8H13NO/c1-10-8(7-9)5-3-2-4-6-8/h2-5H,6-7,9H2,1H3
InChIKeyKGBKPCUGIDTVGP-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (1-methoxycyclohexa-2,4-dien-1-yl)methanamine (CID 67613783) is (1-methoxycyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (1-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (1-methoxycyclohexa-2,4-dien-1-yl)methanamine is COC1(CN)C=CC=CC1.
What is the InChIKey of (1-methoxycyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is KGBKPCUGIDTVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8(7-9)5-3-2-4-6-8/h2-5H,6-7,9H2,1H3.
What are the key properties of (1-methoxycyclohexa-2,4-dien-1-yl)methanamine?
(1-methoxycyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 67613783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).