N-methylcyclohepta-2,4,6-trien-1-amine

C8H11N — CID 55287641

IUPACN-methylcyclohepta-2,4,6-trien-1-amine
SMILESCNC1C=CC=CC=C1
InChIInChI=1S/C8H11N/c1-9-8-6-4-2-3-5-7-8/h2-9H,1H3
InChIKeyFFQQJUNUAASXTD-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.26
Rot. Bonds1

About N-methylcyclohepta-2,4,6-trien-1-amine

N-methylcyclohepta-2,4,6-trien-1-amine (PubChem CID 55287641) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-methylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound NameN-methylcyclohepta-2,4,6-trien-1-amine
PubChem CID55287641
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-methylcyclohepta-2,4,6-trien-1-amine
SMILESCNC1C=CC=CC=C1
InChIInChI=1S/C8H11N/c1-9-8-6-4-2-3-5-7-8/h2-9H,1H3
InChIKeyFFQQJUNUAASXTD-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of N-methylcyclohepta-2,4,6-trien-1-amine (CID 55287641) is N-methylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for N-methylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for N-methylcyclohepta-2,4,6-trien-1-amine is CNC1C=CC=CC=C1.
What is the InChIKey of N-methylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is FFQQJUNUAASXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-9-8-6-4-2-3-5-7-8/h2-9H,1H3.
What are the key properties of N-methylcyclohepta-2,4,6-trien-1-amine?
N-methylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 121.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 55287641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).