azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine

C16H20N2 — CID 142611226

IUPACazane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine
SMILESC=CC1=C(\C=C)N(C)Cc2ccccc2/C=C\1.N
InChIInChI=1S/C16H17N.H3N/c1-4-13-10-11-14-8-6-7-9-15(14)12-17(3)16(13)5-2;/h4-11H,1-2,12H2,3H3;1H3/b11-10-,16-13-;
InChIKeyVJUUVCZBKHAHHO-IUVZNSLHSA-N
MW240.35 g/mol
LogP3.93
Rot. Bonds2

About azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine

azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine (PubChem CID 142611226) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine.

Molecular Properties

Compound Nameazane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine
PubChem CID142611226
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Nameazane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine
SMILESC=CC1=C(\C=C)N(C)Cc2ccccc2/C=C\1.N
InChIInChI=1S/C16H17N.H3N/c1-4-13-10-11-14-8-6-7-9-15(14)12-17(3)16(13)5-2;/h4-11H,1-2,12H2,3H3;1H3/b11-10-,16-13-;
InChIKeyVJUUVCZBKHAHHO-IUVZNSLHSA-N
XLogP3.93
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4Z)-4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-3-azabicyclo[6.4.0]dodeca-1(12),4,8,10-tetraen-6-yne
CID 170725191
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CID 174841145
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CID 177166592
ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine
CID 143757893
ethane;(3Z,5Z)-3-ethenyl-5-hydrazinyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazocin-6-amine
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1-(1H-isoquinolin-2-yl)prop-1-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine?
The IUPAC name of azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine (CID 142611226) is azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine.
What is the SMILES notation for azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine?
The canonical SMILES for azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine is C=CC1=C(\C=C)N(C)Cc2ccccc2/C=C\1.N.
What is the InChIKey of azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine?
The InChIKey is VJUUVCZBKHAHHO-IUVZNSLHSA-N. The full InChI is InChI=1S/C16H17N.H3N/c1-4-13-10-11-14-8-6-7-9-15(14)12-17(3)16(13)5-2;/h4-11H,1-2,12H2,3H3;1H3/b11-10-,16-13-;.
What are the key properties of azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine?
azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine has a molecular weight of 240.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine is sourced from PubChem (CID 142611226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).