(2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine

C30H43N3O2 — CID 146223208

IUPAC(2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine
SMILESC=CN/C(C)=C\C(OC)=C(/C)CNC(=C)c1c(C)c(N(CC)C2CCCCC2)cc2oc(C)cc12
InChIInChI=1S/C30H43N3O2/c1-9-31-21(4)16-28(34-8)20(3)19-32-24(7)30-23(6)27(18-29-26(30)17-22(5)35-29)33(10-2)25-14-12-11-13-15-25/h9,16-18,25,31-32H,1,7,10-15,19H2,2-6,8H3/b21-16-,28-20-
InChIKeyNHPGJUUAIXSXAV-UYARBYSOSA-N
MW477.69 g/mol
LogP7.33
Rot. Bonds11

About (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine

(2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine (PubChem CID 146223208) has the molecular formula C30H43N3O2 and a molecular weight of 477.69 g/mol. Its IUPAC name is (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine
PubChem CID146223208
Molecular FormulaC30H43N3O2
Molecular Weight477.69 g/mol
Exact Mass477.34
IUPAC Name(2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine
SMILESC=CN/C(C)=C\C(OC)=C(/C)CNC(=C)c1c(C)c(N(CC)C2CCCCC2)cc2oc(C)cc12
InChIInChI=1S/C30H43N3O2/c1-9-31-21(4)16-28(34-8)20(3)19-32-24(7)30-23(6)27(18-29-26(30)17-22(5)35-29)33(10-2)25-14-12-11-13-15-25/h9,16-18,25,31-32H,1,7,10-15,19H2,2-6,8H3/b21-16-,28-20-
InChIKeyNHPGJUUAIXSXAV-UYARBYSOSA-N
XLogP7.33
TPSA49.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.69
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine?
The IUPAC name of (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine (CID 146223208) is (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine.
What is the SMILES notation for (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine?
The canonical SMILES for (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine is C=CN/C(C)=C\C(OC)=C(/C)CNC(=C)c1c(C)c(N(CC)C2CCCCC2)cc2oc(C)cc12.
What is the InChIKey of (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine?
The InChIKey is NHPGJUUAIXSXAV-UYARBYSOSA-N. The full InChI is InChI=1S/C30H43N3O2/c1-9-31-21(4)16-28(34-8)20(3)19-32-24(7)30-23(6)27(18-29-26(30)17-22(5)35-29)33(10-2)25-14-12-11-13-15-25/h9,16-18,25,31-32H,1,7,10-15,19H2,2-6,8H3/b21-16-,28-20-.
What are the key properties of (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine?
(2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine has a molecular weight of 477.69 g/mol, XLogP of 7.33, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-N-[1-[6-[cyclohexyl(ethyl)amino]-2,5-dimethyl-1-benzofuran-4-yl]ethenyl]-5-N-ethenyl-3-methoxy-2-methylhexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 146223208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).