3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine

C12H19NO — CID 145385143

IUPAC3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)C1=CC=C(OC)CC1
InChIInChI=1S/C12H19NO/c1-10(8-9-13-2)11-4-6-12(14-3)7-5-11/h4,6,13H,1,5,7-9H2,2-3H3
InChIKeyJRSYKHBVBLIBOG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds5

About 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine

3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine (PubChem CID 145385143) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine
PubChem CID145385143
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)C1=CC=C(OC)CC1
InChIInChI=1S/C12H19NO/c1-10(8-9-13-2)11-4-6-12(14-3)7-5-11/h4,6,13H,1,5,7-9H2,2-3H3
InChIKeyJRSYKHBVBLIBOG-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-Dihydro-3-methoxyphenyl)butylamine
CID 578359
2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
N-propyl-6-methoxy-1,2,3,5-tetrahydro-2-naphthylamine
CID 20456202
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylethanamine
CID 91511846
N-[2-(4-methoxycyclohexa-1,3-dien-1-yl)ethyl]propan-2-amine
CID 121257797
3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
CID 123331927
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142187162
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938
(3E)-3-[(E)-3-methoxybut-2-enylidene]-N-methylcyclohexan-1-amine
CID 142933385
4-[2-(Methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 143147802

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine?
The IUPAC name of 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine (CID 145385143) is 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine is C=C(CCNC)C1=CC=C(OC)CC1.
What is the InChIKey of 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine?
The InChIKey is JRSYKHBVBLIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(8-9-13-2)11-4-6-12(14-3)7-5-11/h4,6,13H,1,5,7-9H2,2-3H3.
What are the key properties of 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine?
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 145385143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).