2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine

C10H15NO — CID 90818419

IUPAC2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine
SMILESCOC1=CCC=CC(CCN)=C1
InChIInChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(8-10)6-7-11/h2,4-5,8H,3,6-7,11H2,1H3
InChIKeyAFFNZAWNGFIJTP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.75
Rot. Bonds3

About 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine

2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine (PubChem CID 90818419) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine
PubChem CID90818419
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine
SMILESCOC1=CCC=CC(CCN)=C1
InChIInChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(8-10)6-7-11/h2,4-5,8H,3,6-7,11H2,1H3
InChIKeyAFFNZAWNGFIJTP-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
2-(Oxepin-4-yl)ethanamine
CID 21621507
2-(2H-pyran-4-yl)ethanamine
CID 54557534
(4-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 68095843
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
(1Z,3Z)-5-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89126573
(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 89153922
(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89204078
(6-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 89270761
[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine
CID 89316193
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine?
The IUPAC name of 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine (CID 90818419) is 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine?
The canonical SMILES for 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine is COC1=CCC=CC(CCN)=C1.
What is the InChIKey of 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine?
The InChIKey is AFFNZAWNGFIJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(8-10)6-7-11/h2,4-5,8H,3,6-7,11H2,1H3.
What are the key properties of 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine?
2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclohepta-1,3,6-trien-1-yl)ethanamine is sourced from PubChem (CID 90818419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).