(2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide

C17H28N4O2 — CID 142215023

IUPAC(2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide
SMILESC/C=C\C=C(\C(=O)NN)C(C)CNCCCNCc1ccco1
InChIInChI=1S/C17H28N4O2/c1-3-4-8-16(17(22)21-18)14(2)12-19-9-6-10-20-13-15-7-5-11-23-15/h3-5,7-8,11,14,19-20H,6,9-10,12-13,18H2,1-2H3,(H,21,22)/b4-3-,16-8+
InChIKeyMJDMTCHHRQSWQM-DLDBRETFSA-N
MW320.44 g/mol
LogP1.48
Rot. Bonds11

About (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide

(2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide (PubChem CID 142215023) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide.

Molecular Properties

Compound Name(2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide
PubChem CID142215023
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide
SMILESC/C=C\C=C(\C(=O)NN)C(C)CNCCCNCc1ccco1
InChIInChI=1S/C17H28N4O2/c1-3-4-8-16(17(22)21-18)14(2)12-19-9-6-10-20-13-15-7-5-11-23-15/h3-5,7-8,11,14,19-20H,6,9-10,12-13,18H2,1-2H3,(H,21,22)/b4-3-,16-8+
InChIKeyMJDMTCHHRQSWQM-DLDBRETFSA-N
XLogP1.48
TPSA92.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
6-(furan-2-ylmethylamino)-4-methylhexanoic acid
CID 65290191
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
CID 23332336
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide?
The IUPAC name of (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide (CID 142215023) is (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide.
What is the SMILES notation for (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide?
The canonical SMILES for (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide is C/C=C\C=C(\C(=O)NN)C(C)CNCCCNCc1ccco1.
What is the InChIKey of (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide?
The InChIKey is MJDMTCHHRQSWQM-DLDBRETFSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-4-8-16(17(22)21-18)14(2)12-19-9-6-10-20-13-15-7-5-11-23-15/h3-5,7-8,11,14,19-20H,6,9-10,12-13,18H2,1-2H3,(H,21,22)/b4-3-,16-8+.
What are the key properties of (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide?
(2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide has a molecular weight of 320.44 g/mol, XLogP of 1.48, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide is sourced from PubChem (CID 142215023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).