1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine

C9H15NO — CID 24772962

IUPAC1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CCC(OC)=CC1
InChIInChI=1S/C9H15NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3,6,10H,4-5,7H2,1-2H3
InChIKeyGMGMMEPQEUSUOQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.46
Rot. Bonds3

About 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine

1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine (PubChem CID 24772962) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine
PubChem CID24772962
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CCC(OC)=CC1
InChIInChI=1S/C9H15NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3,6,10H,4-5,7H2,1-2H3
InChIKeyGMGMMEPQEUSUOQ-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyrilamine Birch
CID 91693893
1-Methoxy-4-(3-n-propylamino)propyl-1,4-cyclohexadiene
CID 13650421
3,4,5,8-tetrahydro-2H-1,3-benzoxazine
CID 91160084
3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
CID 123395406
(2,6-dimethyl-4H-pyran-3-yl)methanamine
CID 140731358
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 144547153
2-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylethanamine
CID 12400613
1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine
CID 45091076
(5-Methoxycyclohexa-1,4-dien-1-yl)methanamine
CID 55288690
(4-Methoxycyclohexa-1,4-dien-1-yl)methanamine
CID 55290557
(2-Methoxycyclohexa-1,4-dien-1-yl)methanamine
CID 55291572

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine (CID 24772962) is 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine is CNCC1=CCC(OC)=CC1.
What is the InChIKey of 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine?
The InChIKey is GMGMMEPQEUSUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3,6,10H,4-5,7H2,1-2H3.
What are the key properties of 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine?
1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 24772962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).