ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine

C26H35N5 — CID 143214762

IUPACethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine
SMILESC/C=C\C(=C/Cn1c(-c2ccncc2)cc2c1CCc1ccccc1-2)CN.CC.NN
InChIInChI=1S/C24H25N3.C2H6.H4N2/c1-2-5-18(17-25)12-15-27-23-9-8-19-6-3-4-7-21(19)22(23)16-24(27)20-10-13-26-14-11-20;2*1-2/h2-7,10-14,16H,8-9,15,17,25H2,1H3;1-2H3;1-2H2/b5-2-,18-12+;;
InChIKeyZINIQVQRXPGDJX-TUADXYPCSA-N
MW417.60 g/mol
LogP4.62
Rot. Bonds5

About ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine

ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine (PubChem CID 143214762) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine.

Molecular Properties

Compound Nameethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine
PubChem CID143214762
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC Nameethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine
SMILESC/C=C\C(=C/Cn1c(-c2ccncc2)cc2c1CCc1ccccc1-2)CN.CC.NN
InChIInChI=1S/C24H25N3.C2H6.H4N2/c1-2-5-18(17-25)12-15-27-23-9-8-19-6-3-4-7-21(19)22(23)16-24(27)20-10-13-26-14-11-20;2*1-2/h2-7,10-14,16H,8-9,15,17,25H2,1H3;1-2H3;1-2H2/b5-2-,18-12+;;
InChIKeyZINIQVQRXPGDJX-TUADXYPCSA-N
XLogP4.62
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine?
The IUPAC name of ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine (CID 143214762) is ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine.
What is the SMILES notation for ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine?
The canonical SMILES for ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine is C/C=C\C(=C/Cn1c(-c2ccncc2)cc2c1CCc1ccccc1-2)CN.CC.NN.
What is the InChIKey of ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine?
The InChIKey is ZINIQVQRXPGDJX-TUADXYPCSA-N. The full InChI is InChI=1S/C24H25N3.C2H6.H4N2/c1-2-5-18(17-25)12-15-27-23-9-8-19-6-3-4-7-21(19)22(23)16-24(27)20-10-13-26-14-11-20;2*1-2/h2-7,10-14,16H,8-9,15,17,25H2,1H3;1-2H3;1-2H2/b5-2-,18-12+;;.
What are the key properties of ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine?
ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine has a molecular weight of 417.60 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hydrazine;(Z,2E)-2-[2-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)ethylidene]pent-3-en-1-amine is sourced from PubChem (CID 143214762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).