4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine

C10H16N2 — CID 143094022

IUPAC4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine
SMILESCNC1=CC=C(CCN)CC=C1
InChIInChI=1S/C10H16N2/c1-12-10-4-2-3-9(5-6-10)7-8-11/h2,4-6,12H,3,7-8,11H2,1H3
InChIKeyQXBGLJVOPZWTND-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.32
Rot. Bonds3

About 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine

4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 143094022) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID143094022
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine
SMILESCNC1=CC=C(CCN)CC=C1
InChIInChI=1S/C10H16N2/c1-12-10-4-2-3-9(5-6-10)7-8-11/h2,4-6,12H,3,7-8,11H2,1H3
InChIKeyQXBGLJVOPZWTND-UHFFFAOYSA-N
XLogP1.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine (CID 143094022) is 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine is CNC1=CC=C(CCN)CC=C1.
What is the InChIKey of 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is QXBGLJVOPZWTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-10-4-2-3-9(5-6-10)7-8-11/h2,4-6,12H,3,7-8,11H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine?
4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143094022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).