1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine

C10H17NO — CID 142147408

IUPAC1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
SMILESCNC(C)C1=CC(OC)=CCC1
InChIInChI=1S/C10H17NO/c1-8(11-2)9-5-4-6-10(7-9)12-3/h6-8,11H,4-5H2,1-3H3
InChIKeyWYYLAEJUNVLFOX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds3

About 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine

1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine (PubChem CID 142147408) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
PubChem CID142147408
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
SMILESCNC(C)C1=CC(OC)=CCC1
InChIInChI=1S/C10H17NO/c1-8(11-2)9-5-4-6-10(7-9)12-3/h6-8,11H,4-5H2,1-3H3
InChIKeyWYYLAEJUNVLFOX-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89276342
2-(6-Fluoro-2-methoxycyclohepta-1,3,6-trien-1-yl)pyrrolidine
CID 134386201
N-[(1R)-1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-2-methylpropan-1-amine
CID 169112958
(2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine
CID 174194590
2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 59686728
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 89283347
4-methoxy-N-methylcyclohexa-2,4-dien-1-amine
CID 90855668
5-[(3-Methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane
CID 91030497
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 118245174
N-[2-(4-methoxycyclohexa-1,3-dien-1-yl)ethyl]propan-2-amine
CID 121257797
6-Methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline
CID 122544062

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The IUPAC name of 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine (CID 142147408) is 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine is CNC(C)C1=CC(OC)=CCC1.
What is the InChIKey of 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The InChIKey is WYYLAEJUNVLFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(11-2)9-5-4-6-10(7-9)12-3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine?
1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine is sourced from PubChem (CID 142147408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).