(3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine

C19H23N — CID 143127856

IUPAC(3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine
SMILESC=CC1=C(/C=C\C)CCc2ccccc2/C1=C\CCN
InChIInChI=1S/C19H23N/c1-3-8-15-12-13-16-9-5-6-10-18(16)19(11-7-14-20)17(15)4-2/h3-6,8-11H,2,7,12-14,20H2,1H3/b8-3-,19-11-
InChIKeyKNGUKIQTOANKKF-ZDWJJWRUSA-N
MW265.40 g/mol
LogP4.42
Rot. Bonds4

About (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine

(3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine (PubChem CID 143127856) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine
PubChem CID143127856
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine
SMILESC=CC1=C(/C=C\C)CCc2ccccc2/C1=C\CCN
InChIInChI=1S/C19H23N/c1-3-8-15-12-13-16-9-5-6-10-18(16)19(11-7-14-20)17(15)4-2/h3-6,8-11H,2,7,12-14,20H2,1H3/b8-3-,19-11-
InChIKeyKNGUKIQTOANKKF-ZDWJJWRUSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-3-[3-ethenyl-4-[(Z)-prop-1-enyl]-1H-2-benzoxepin-5-ylidene]propan-1-amine
CID 143592092
(3E)-3-[6,7-bis(ethenyl)-8,9-dihydrobenzo[7]annulen-5-ylidene]-N-methylpropan-1-amine;ethane
CID 143757919
(3E)-3-[2,6-bis(ethenyl)-3,7-bis[(Z)-prop-1-enyl]cyclohepta-2,6-dien-1-ylidene]-N-methylpropan-1-amine;ethane
CID 143757898
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
3-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-1-amine
CID 76997136
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;methane
CID 117064953
trimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium iodide
CID 134990261
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine chloride
CID 18415560
methylcyanamide;N'-methyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)pentanimidamide;3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
CID 160684013
ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
CID 143757912
ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
CID 142216483
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)butan-1-imine
CID 89318646

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine?
The IUPAC name of (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine (CID 143127856) is (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine.
What is the SMILES notation for (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine?
The canonical SMILES for (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine is C=CC1=C(/C=C\C)CCc2ccccc2/C1=C\CCN.
What is the InChIKey of (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine?
The InChIKey is KNGUKIQTOANKKF-ZDWJJWRUSA-N. The full InChI is InChI=1S/C19H23N/c1-3-8-15-12-13-16-9-5-6-10-18(16)19(11-7-14-20)17(15)4-2/h3-6,8-11H,2,7,12-14,20H2,1H3/b8-3-,19-11-.
What are the key properties of (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine?
(3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine is sourced from PubChem (CID 143127856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).