[3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine

C43H68N8O4 — CID 169183567

IUPAC[3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine
SMILESC=C(N)C(NC)C(C)C.CCn1c(-c2cc(CN(C)C)nn2C)c(CC(C)(C)COC=O)c2cc(-c3cc(O)cc(CCCCCCC=O)c3)ccc21.NN
InChIInChI=1S/C36H48N4O4.C7H16N2.H4N2/c1-7-40-33-15-14-27(28-17-26(18-30(43)19-28)13-11-9-8-10-12-16-41)20-31(33)32(22-36(2,3)24-44-25-42)35(40)34-21-29(23-38(4)5)37-39(34)6;1-5(2)7(9-4)6(3)8;1-2/h14-21,25,43H,7-13,22-24H2,1-6H3;5,7,9H,3,8H2,1-2,4H3;1-2H2
InChIKeyBOWWMLKNESOOBJ-UHFFFAOYSA-N
MW761.07 g/mol
LogP6.45
Rot. Bonds20

About [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine

[3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine (PubChem CID 169183567) has the molecular formula C43H68N8O4 and a molecular weight of 761.07 g/mol. Its IUPAC name is [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine.

Molecular Properties

Compound Name[3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine
PubChem CID169183567
Molecular FormulaC43H68N8O4
Molecular Weight761.07 g/mol
Exact Mass760.54
IUPAC Name[3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine
SMILESC=C(N)C(NC)C(C)C.CCn1c(-c2cc(CN(C)C)nn2C)c(CC(C)(C)COC=O)c2cc(-c3cc(O)cc(CCCCCCC=O)c3)ccc21.NN
InChIInChI=1S/C36H48N4O4.C7H16N2.H4N2/c1-7-40-33-15-14-27(28-17-26(18-30(43)19-28)13-11-9-8-10-12-16-41)20-31(33)32(22-36(2,3)24-44-25-42)35(40)34-21-29(23-38(4)5)37-39(34)6;1-5(2)7(9-4)6(3)8;1-2/h14-21,25,43H,7-13,22-24H2,1-6H3;5,7,9H,3,8H2,1-2,4H3;1-2H2
InChIKeyBOWWMLKNESOOBJ-UHFFFAOYSA-N
XLogP6.45
TPSA179.68 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.07
LogP ≤ 56.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine?
The IUPAC name of [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine (CID 169183567) is [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine.
What is the SMILES notation for [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine?
The canonical SMILES for [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine is C=C(N)C(NC)C(C)C.CCn1c(-c2cc(CN(C)C)nn2C)c(CC(C)(C)COC=O)c2cc(-c3cc(O)cc(CCCCCCC=O)c3)ccc21.NN.
What is the InChIKey of [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine?
The InChIKey is BOWWMLKNESOOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N4O4.C7H16N2.H4N2/c1-7-40-33-15-14-27(28-17-26(18-30(43)19-28)13-11-9-8-10-12-16-41)20-31(33)32(22-36(2,3)24-44-25-42)35(40)34-21-29(23-38(4)5)37-39(34)6;1-5(2)7(9-4)6(3)8;1-2/h14-21,25,43H,7-13,22-24H2,1-6H3;5,7,9H,3,8H2,1-2,4H3;1-2H2.
What are the key properties of [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine?
[3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine has a molecular weight of 761.07 g/mol, XLogP of 6.45, 20 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-1-ethyl-5-[3-hydroxy-5-(7-oxoheptyl)phenyl]indol-3-yl]-2,2-dimethylpropyl] formate;3-N,4-dimethylpent-1-ene-2,3-diamine;hydrazine is sourced from PubChem (CID 169183567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).