(6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine

C9H13NO — CID 143609501

IUPAC(6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine
SMILESCOC1=CC=CC=C(CN)C1
InChIInChI=1S/C9H13NO/c1-11-9-5-3-2-4-8(6-9)7-10/h2-5H,6-7,10H2,1H3
InChIKeyUGGZQPUFTMBOQG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.36
Rot. Bonds2

About (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine

(6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine (PubChem CID 143609501) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine.

Molecular Properties

Compound Name(6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine
PubChem CID143609501
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine
SMILESCOC1=CC=CC=C(CN)C1
InChIInChI=1S/C9H13NO/c1-11-9-5-3-2-4-8(6-9)7-10/h2-5H,6-7,10H2,1H3
InChIKeyUGGZQPUFTMBOQG-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine?
The IUPAC name of (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine (CID 143609501) is (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine.
What is the SMILES notation for (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine?
The canonical SMILES for (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine is COC1=CC=CC=C(CN)C1.
What is the InChIKey of (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine?
The InChIKey is UGGZQPUFTMBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-11-9-5-3-2-4-8(6-9)7-10/h2-5H,6-7,10H2,1H3.
What are the key properties of (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine?
(6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine has a molecular weight of 151.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycyclohepta-1,3,5-trien-1-yl)methanamine is sourced from PubChem (CID 143609501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).