(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane

C15H36N6O — CID 144649727

IUPAC(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane
SMILESCC.CC.CN1CCN(CCCNC(=O)/C(N)=C/NN)CC1
InChIInChI=1S/C11H24N6O.2C2H6/c1-16-5-7-17(8-6-16)4-2-3-14-11(18)10(12)9-15-13;2*1-2/h9,15H,2-8,12-13H2,1H3,(H,14,18);2*1-2H3/b10-9-;;
InChIKeyGMTXZIBVWXFMRB-XXAVUKJNSA-N
MW316.49 g/mol
LogP0.06
Rot. Bonds6

About (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane

(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane (PubChem CID 144649727) has the molecular formula C15H36N6O and a molecular weight of 316.49 g/mol. Its IUPAC name is (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane.

Molecular Properties

Compound Name(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane
PubChem CID144649727
Molecular FormulaC15H36N6O
Molecular Weight316.49 g/mol
Exact Mass316.30
IUPAC Name(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane
SMILESCC.CC.CN1CCN(CCCNC(=O)/C(N)=C/NN)CC1
InChIInChI=1S/C11H24N6O.2C2H6/c1-16-5-7-17(8-6-16)4-2-3-14-11(18)10(12)9-15-13;2*1-2/h9,15H,2-8,12-13H2,1H3,(H,14,18);2*1-2H3/b10-9-;;
InChIKeyGMTXZIBVWXFMRB-XXAVUKJNSA-N
XLogP0.06
TPSA99.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane?
The IUPAC name of (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane (CID 144649727) is (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane.
What is the SMILES notation for (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane?
The canonical SMILES for (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane is CC.CC.CN1CCN(CCCNC(=O)/C(N)=C/NN)CC1.
What is the InChIKey of (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane?
The InChIKey is GMTXZIBVWXFMRB-XXAVUKJNSA-N. The full InChI is InChI=1S/C11H24N6O.2C2H6/c1-16-5-7-17(8-6-16)4-2-3-14-11(18)10(12)9-15-13;2*1-2/h9,15H,2-8,12-13H2,1H3,(H,14,18);2*1-2H3/b10-9-;;.
What are the key properties of (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane?
(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane has a molecular weight of 316.49 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide;ethane is sourced from PubChem (CID 144649727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).