2,3,4,10a-tetrahydro-1H-acridin-10-amine

C13H16N2 — CID 87629165

IUPAC2,3,4,10a-tetrahydro-1H-acridin-10-amine
SMILESNN1C2=C(C=C3C=CC=CC31)CCCC2
InChIInChI=1S/C13H16N2/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3,5,7,9,12H,2,4,6,8,14H2
InChIKeyPZSWRPUBOYDDCV-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.42
Rot. Bonds

About 2,3,4,10a-tetrahydro-1H-acridin-10-amine

2,3,4,10a-tetrahydro-1H-acridin-10-amine (PubChem CID 87629165) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2,3,4,10a-tetrahydro-1H-acridin-10-amine.

Molecular Properties

Compound Name2,3,4,10a-tetrahydro-1H-acridin-10-amine
PubChem CID87629165
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2,3,4,10a-tetrahydro-1H-acridin-10-amine
SMILESNN1C2=C(C=C3C=CC=CC31)CCCC2
InChIInChI=1S/C13H16N2/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3,5,7,9,12H,2,4,6,8,14H2
InChIKeyPZSWRPUBOYDDCV-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,10a-tetrahydro-1H-acridin-10-amine?
The IUPAC name of 2,3,4,10a-tetrahydro-1H-acridin-10-amine (CID 87629165) is 2,3,4,10a-tetrahydro-1H-acridin-10-amine.
What is the SMILES notation for 2,3,4,10a-tetrahydro-1H-acridin-10-amine?
The canonical SMILES for 2,3,4,10a-tetrahydro-1H-acridin-10-amine is NN1C2=C(C=C3C=CC=CC31)CCCC2.
What is the InChIKey of 2,3,4,10a-tetrahydro-1H-acridin-10-amine?
The InChIKey is PZSWRPUBOYDDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3,5,7,9,12H,2,4,6,8,14H2.
What are the key properties of 2,3,4,10a-tetrahydro-1H-acridin-10-amine?
2,3,4,10a-tetrahydro-1H-acridin-10-amine has a molecular weight of 200.29 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,10a-tetrahydro-1H-acridin-10-amine is sourced from PubChem (CID 87629165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).