sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine

C64H111N10Na — CID 166144550

IUPACsodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine
SMILESC=C.C=C(N)C(C1CCCC1)N1CCC(CNCC)C1.C=CCCCCCCN1CCC=C(c2ccc3c(c2)c(CC(C)(C)CCC)c(-c2cc(N4CCN(CC)C(CC)C4)cnc2[CH-]C)n3CC)C1.CC.NN.[Na+]
InChIInChI=1S/C45H68N5.C15H29N3.C2H6.C2H4.H4N2.Na/c1-9-15-16-17-18-19-25-47-26-20-21-36(33-47)35-22-23-43-39(29-35)41(31-45(7,8)24-10-2)44(50(43)14-6)40-30-38(32-46-42(40)12-4)49-28-27-48(13-5)37(11-3)34-49;1-3-17-10-13-8-9-18(11-13)15(12(2)16)14-6-4-5-7-14;3*1-2;/h9,12,21-23,29-30,32,37H,1,10-11,13-20,24-28,31,33-34H2,2-8H3;13-15,17H,2-11,16H2,1H3;1-2H3;2*1-2H2;/q-1;;;;;+1
InChIKeySLFYHEVKZBSZNU-UHFFFAOYSA-N
MW1043.65 g/mol
LogP10.41
Rot. Bonds24

About sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine

sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine (PubChem CID 166144550) has the molecular formula C64H111N10Na and a molecular weight of 1043.65 g/mol. Its IUPAC name is sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine.

Molecular Properties

Compound Namesodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine
PubChem CID166144550
Molecular FormulaC64H111N10Na
Molecular Weight1043.65 g/mol
Exact Mass1042.89
IUPAC Namesodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine
SMILESC=C.C=C(N)C(C1CCCC1)N1CCC(CNCC)C1.C=CCCCCCCN1CCC=C(c2ccc3c(c2)c(CC(C)(C)CCC)c(-c2cc(N4CCN(CC)C(CC)C4)cnc2[CH-]C)n3CC)C1.CC.NN.[Na+]
InChIInChI=1S/C45H68N5.C15H29N3.C2H6.C2H4.H4N2.Na/c1-9-15-16-17-18-19-25-47-26-20-21-36(33-47)35-22-23-43-39(29-35)41(31-45(7,8)24-10-2)44(50(43)14-6)40-30-38(32-46-42(40)12-4)49-28-27-48(13-5)37(11-3)34-49;1-3-17-10-13-8-9-18(11-13)15(12(2)16)14-6-4-5-7-14;3*1-2;/h9,12,21-23,29-30,32,37H,1,10-11,13-20,24-28,31,33-34H2,2-8H3;13-15,17H,2-11,16H2,1H3;1-2H3;2*1-2H2;/q-1;;;;;+1
InChIKeySLFYHEVKZBSZNU-UHFFFAOYSA-N
XLogP10.41
TPSA120.87 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.65
LogP ≤ 510.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine?
The IUPAC name of sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine (CID 166144550) is sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine.
What is the SMILES notation for sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine?
The canonical SMILES for sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine is C=C.C=C(N)C(C1CCCC1)N1CCC(CNCC)C1.C=CCCCCCCN1CCC=C(c2ccc3c(c2)c(CC(C)(C)CCC)c(-c2cc(N4CCN(CC)C(CC)C4)cnc2[CH-]C)n3CC)C1.CC.NN.[Na+].
What is the InChIKey of sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine?
The InChIKey is SLFYHEVKZBSZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H68N5.C15H29N3.C2H6.C2H4.H4N2.Na/c1-9-15-16-17-18-19-25-47-26-20-21-36(33-47)35-22-23-43-39(29-35)41(31-45(7,8)24-10-2)44(50(43)14-6)40-30-38(32-46-42(40)12-4)49-28-27-48(13-5)37(11-3)34-49;1-3-17-10-13-8-9-18(11-13)15(12(2)16)14-6-4-5-7-14;3*1-2;/h9,12,21-23,29-30,32,37H,1,10-11,13-20,24-28,31,33-34H2,2-8H3;13-15,17H,2-11,16H2,1H3;1-2H3;2*1-2H2;/q-1;;;;;+1.
What are the key properties of sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine?
sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine has a molecular weight of 1043.65 g/mol, XLogP of 10.41, 24 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-cyclopentyl-3-[3-(ethylaminomethyl)pyrrolidin-1-yl]prop-1-en-2-amine;2-[5-(3,4-diethylpiperazin-1-yl)-2-ethyl-3-pyridinyl]-3-(2,2-dimethylpentyl)-1-ethyl-5-(1-oct-7-enyl-3,6-dihydro-2H-pyridin-5-yl)indole;ethane;ethene;hydrazine is sourced from PubChem (CID 166144550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).