(5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine

C13H15N — CID 156576675

IUPAC(5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine
SMILESCc1ccc(N)c2c1/C=C\C=C/CC2
InChIInChI=1S/C13H15N/c1-10-8-9-13(14)12-7-5-3-2-4-6-11(10)12/h2-4,6,8-9H,5,7,14H2,1H3/b3-2-,6-4-
InChIKeyPLELPOPIICGLLU-BXAWZMCCSA-N
MW185.27 g/mol
LogP3.09
Rot. Bonds

About (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine

(5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine (PubChem CID 156576675) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine.

Molecular Properties

Compound Name(5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine
PubChem CID156576675
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine
SMILESCc1ccc(N)c2c1/C=C\C=C/CC2
InChIInChI=1S/C13H15N/c1-10-8-9-13(14)12-7-5-3-2-4-6-11(10)12/h2-4,6,8-9H,5,7,14H2,1H3/b3-2-,6-4-
InChIKeyPLELPOPIICGLLU-BXAWZMCCSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine?
The IUPAC name of (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine (CID 156576675) is (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine.
What is the SMILES notation for (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine?
The canonical SMILES for (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine is Cc1ccc(N)c2c1/C=C\C=C/CC2.
What is the InChIKey of (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine?
The InChIKey is PLELPOPIICGLLU-BXAWZMCCSA-N. The full InChI is InChI=1S/C13H15N/c1-10-8-9-13(14)12-7-5-3-2-4-6-11(10)12/h2-4,6,8-9H,5,7,14H2,1H3/b3-2-,6-4-.
What are the key properties of (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine?
(5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine has a molecular weight of 185.27 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine is sourced from PubChem (CID 156576675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).