5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline

C24H30N2 — CID 143721776

IUPAC5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline
SMILESC=C(C/C1=N/C(CC)=C(C)/C=C\C(C)CC1)c1cccc2c1=CCNC=2
InChIInChI=1S/C24H30N2/c1-5-24-18(3)11-9-17(2)10-12-21(26-24)15-19(4)22-8-6-7-20-16-25-14-13-23(20)22/h6-9,11,13,16-17,25H,4-5,10,12,14-15H2,1-3H3/b11-9-,24-18+,26-21+
InChIKeyPJLGMSGSPGLREW-IWQNVIIKSA-N
MW346.52 g/mol
LogP4.32
Rot. Bonds4

About 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline

5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline (PubChem CID 143721776) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline.

Molecular Properties

Compound Name5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline
PubChem CID143721776
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline
SMILESC=C(C/C1=N/C(CC)=C(C)/C=C\C(C)CC1)c1cccc2c1=CCNC=2
InChIInChI=1S/C24H30N2/c1-5-24-18(3)11-9-17(2)10-12-21(26-24)15-19(4)22-8-6-7-20-16-25-14-13-23(20)22/h6-9,11,13,16-17,25H,4-5,10,12,14-15H2,1-3H3/b11-9-,24-18+,26-21+
InChIKeyPJLGMSGSPGLREW-IWQNVIIKSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine
CID 91172653
(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine
CID 129058452
6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole
CID 141472259
12-Methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene
CID 10084741
2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine
CID 142454527
2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine
CID 142454628
2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine
CID 142454833
2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine
CID 142454888

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline?
The IUPAC name of 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline (CID 143721776) is 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline.
What is the SMILES notation for 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline?
The canonical SMILES for 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline is C=C(C/C1=N/C(CC)=C(C)/C=C\C(C)CC1)c1cccc2c1=CCNC=2.
What is the InChIKey of 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline?
The InChIKey is PJLGMSGSPGLREW-IWQNVIIKSA-N. The full InChI is InChI=1S/C24H30N2/c1-5-24-18(3)11-9-17(2)10-12-21(26-24)15-19(4)22-8-6-7-20-16-25-14-13-23(20)22/h6-9,11,13,16-17,25H,4-5,10,12,14-15H2,1-3H3/b11-9-,24-18+,26-21+.
What are the key properties of 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline?
5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline has a molecular weight of 346.52 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline is sourced from PubChem (CID 143721776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).