N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine

C12H19NO — CID 142609317

IUPACN-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine
SMILESC=CN(C)C1=CCCC=C1OCCC
InChIInChI=1S/C12H19NO/c1-4-10-14-12-9-7-6-8-11(12)13(3)5-2/h5,8-9H,2,4,6-7,10H2,1,3H3
InChIKeyGLRFGAYMXJARKX-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.05
Rot. Bonds5

About N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine

N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine (PubChem CID 142609317) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine
PubChem CID142609317
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine
SMILESC=CN(C)C1=CCCC=C1OCCC
InChIInChI=1S/C12H19NO/c1-4-10-14-12-9-7-6-8-11(12)13(3)5-2/h5,8-9H,2,4,6-7,10H2,1,3H3
InChIKeyGLRFGAYMXJARKX-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine
CID 123792333
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
CID 130420897
(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine
CID 138531975
2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
CID 142036077
4,7,7-Trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine
CID 142096969
4-Propyl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 142262038
4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
CID 142474861
4-(5-Methoxycyclohepta-1,4,6-trien-1-yl)morpholine
CID 142919990
N-[(Z)-but-2-enyl]-5-[2-(dimethylamino)ethoxy]-N-methylcyclohepta-1,4,6-trien-1-amine;ethane
CID 143099774

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine (CID 142609317) is N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine is C=CN(C)C1=CCCC=C1OCCC.
What is the InChIKey of N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine?
The InChIKey is GLRFGAYMXJARKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-10-14-12-9-7-6-8-11(12)13(3)5-2/h5,8-9H,2,4,6-7,10H2,1,3H3.
What are the key properties of N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine?
N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142609317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).