(6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine

C16H21N — CID 138508557

IUPAC(6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine
SMILESCC1(C)CC=CC2=C1/C=C\C/C=C\C=C/C2N
InChIInChI=1S/C16H21N/c1-16(2)12-8-9-13-14(16)10-6-4-3-5-7-11-15(13)17/h3,5-11,15H,4,12,17H2,1-2H3/b5-3-,10-6-,11-7-
InChIKeyFCHBLFDDSMUKOE-GLAZBCHYSA-N
MW227.35 g/mol
LogP3.67
Rot. Bonds

About (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine

(6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine (PubChem CID 138508557) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine.

Molecular Properties

Compound Name(6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine
PubChem CID138508557
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine
SMILESCC1(C)CC=CC2=C1/C=C\C/C=C\C=C/C2N
InChIInChI=1S/C16H21N/c1-16(2)12-8-9-13-14(16)10-6-4-3-5-7-11-15(13)17/h3,5-11,15H,4,12,17H2,1-2H3/b5-3-,10-6-,11-7-
InChIKeyFCHBLFDDSMUKOE-GLAZBCHYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine?
The IUPAC name of (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine (CID 138508557) is (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine.
What is the SMILES notation for (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine?
The canonical SMILES for (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine is CC1(C)CC=CC2=C1/C=C\C/C=C\C=C/C2N.
What is the InChIKey of (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine?
The InChIKey is FCHBLFDDSMUKOE-GLAZBCHYSA-N. The full InChI is InChI=1S/C16H21N/c1-16(2)12-8-9-13-14(16)10-6-4-3-5-7-11-15(13)17/h3,5-11,15H,4,12,17H2,1-2H3/b5-3-,10-6-,11-7-.
What are the key properties of (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine?
(6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine has a molecular weight of 227.35 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine is sourced from PubChem (CID 138508557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).