1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine

C9H15NO — CID 123390807

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

About 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine

1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine (PubChem CID 123390807) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
PubChem CID123390807
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CC=C(OC)CC1
InChIInChI=1S/C9H15NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3,5,10H,4,6-7H2,1-2H3
InChIKeyGOESELCOSNLGFU-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

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Related Compounds

2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 145221898
1-(2,3-difluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 153714132
1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 162594791
1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
(4-Methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 66581252
6-methoxy-2,3,4,8-tetrahydro-1H-3-benzazepine
CID 70348175
(4-Ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89418548
ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen
CID 143806682
ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 144547153
(3-Chloro-4-methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 144778067
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine
CID 145385143

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine (CID 123390807) is 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine is CNCC1=CC=C(OC)CC1.
What is the InChIKey of 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The InChIKey is GOESELCOSNLGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3,5,10H,4,6-7H2,1-2H3.
What are the key properties of 1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
1-(4-methoxycyclohexa-1,3-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-1,3-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 123390807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).