(6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine

C16H23N — CID 70819874

IUPAC(6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine
SMILESCC1/C=C\C(N)=C/CC(C)(C)C2=C1C=CCC2
InChIInChI=1S/C16H23N/c1-12-8-9-13(17)10-11-16(2,3)15-7-5-4-6-14(12)15/h4,6,8-10,12H,5,7,11,17H2,1-3H3/b9-8-,13-10+
InChIKeyMGDPCGPJRGWAMK-JQHRQWORSA-N
MW229.37 g/mol
LogP4.10
Rot. Bonds

About (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine

(6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine (PubChem CID 70819874) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine.

Molecular Properties

Compound Name(6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine
PubChem CID70819874
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine
SMILESCC1/C=C\C(N)=C/CC(C)(C)C2=C1C=CCC2
InChIInChI=1S/C16H23N/c1-12-8-9-13(17)10-11-16(2,3)15-7-5-4-6-14(12)15/h4,6,8-10,12H,5,7,11,17H2,1-3H3/b9-8-,13-10+
InChIKeyMGDPCGPJRGWAMK-JQHRQWORSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine?
The IUPAC name of (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine (CID 70819874) is (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine.
What is the SMILES notation for (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine?
The canonical SMILES for (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine is CC1/C=C\C(N)=C/CC(C)(C)C2=C1C=CCC2.
What is the InChIKey of (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine?
The InChIKey is MGDPCGPJRGWAMK-JQHRQWORSA-N. The full InChI is InChI=1S/C16H23N/c1-12-8-9-13(17)10-11-16(2,3)15-7-5-4-6-14(12)15/h4,6,8-10,12H,5,7,11,17H2,1-3H3/b9-8-,13-10+.
What are the key properties of (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine?
(6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine has a molecular weight of 229.37 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-5,11,11-trimethyl-1,2,5,10-tetrahydrobenzo[9]annulen-8-amine is sourced from PubChem (CID 70819874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).