N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine

C10H15NO — CID 143108121

IUPACN-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine
SMILESCCNC1=CC=C(OC)CC=C1
InChIInChI=1S/C10H15NO/c1-3-11-9-5-4-6-10(12-2)8-7-9/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyQPAKIWRUOOWZKN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.97
Rot. Bonds3

About N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine

N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine (PubChem CID 143108121) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine
PubChem CID143108121
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine
SMILESCCNC1=CC=C(OC)CC=C1
InChIInChI=1S/C10H15NO/c1-3-11-9-5-4-6-10(12-2)8-7-9/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyQPAKIWRUOOWZKN-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 90162925
5-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 90165423
6-Methoxy-1,5-dihydrocyclohepta[b]pyrrole
CID 117825417
(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
CID 134333960
2-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 134424185
4-ethoxy-N-propylcyclohepta-1,3,6-trien-1-amine
CID 137398826
(3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine
CID 139356872
2-methoxy-N-methylcyclopenta-1,4-dien-1-amine
CID 140101372
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 142202921
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
6-chloro-4-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969690
(3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine
CID 143108233

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine (CID 143108121) is N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine is CCNC1=CC=C(OC)CC=C1.
What is the InChIKey of N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine?
The InChIKey is QPAKIWRUOOWZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-11-9-5-4-6-10(12-2)8-7-9/h4-5,7-8,11H,3,6H2,1-2H3.
What are the key properties of N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine?
N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143108121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).