ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine

C24H39N — CID 143757912

IUPACethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
SMILESC=CC1=C(/C=C\C)CCc2ccccc2C1CCCNC.CC.CC
InChIInChI=1S/C20H27N.2C2H6/c1-4-9-16-13-14-17-10-6-7-11-19(17)20(18(16)5-2)12-8-15-21-3;2*1-2/h4-7,9-11,20-21H,2,8,12-15H2,1,3H3;2*1-2H3/b9-4-;;
InChIKeyBZZPKNVPIDWYAI-FPAIPBCFSA-N
MW341.58 g/mol
LogP6.83
Rot. Bonds6

About ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine

ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine (PubChem CID 143757912) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
PubChem CID143757912
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Nameethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
SMILESC=CC1=C(/C=C\C)CCc2ccccc2C1CCCNC.CC.CC
InChIInChI=1S/C20H27N.2C2H6/c1-4-9-16-13-14-17-10-6-7-11-19(17)20(18(16)5-2)12-8-15-21-3;2*1-2/h4-7,9-11,20-21H,2,8,12-15H2,1,3H3;2*1-2H3/b9-4-;;
InChIKeyBZZPKNVPIDWYAI-FPAIPBCFSA-N
XLogP6.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
CID 142216483
3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-1-amine
CID 163931626
(3E)-3-[6,7-bis(ethenyl)-8,9-dihydrobenzo[7]annulen-5-ylidene]-N-methylpropan-1-amine;ethane
CID 143757919
3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine
CID 83985427
2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine
CID 83985198
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
(3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine
CID 143127856
(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 145347236
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
4-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1,5-dihydro-2-benzoxepine
CID 70370119
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785

Frequently Asked Questions

What is the IUPAC name of ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine?
The IUPAC name of ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine (CID 143757912) is ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine is C=CC1=C(/C=C\C)CCc2ccccc2C1CCCNC.CC.CC.
What is the InChIKey of ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine?
The InChIKey is BZZPKNVPIDWYAI-FPAIPBCFSA-N. The full InChI is InChI=1S/C20H27N.2C2H6/c1-4-9-16-13-14-17-10-6-7-11-19(17)20(18(16)5-2)12-8-15-21-3;2*1-2/h4-7,9-11,20-21H,2,8,12-15H2,1,3H3;2*1-2H3/b9-4-;;.
What are the key properties of ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine?
ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine has a molecular weight of 341.58 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 143757912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).