(Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane

C14H31N5O — CID 144649704

IUPAC(Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane
SMILESCC.CN1CCC(CCN(C)C(=O)/C(N)=C/NN)CC1
InChIInChI=1S/C12H25N5O.C2H6/c1-16-6-3-10(4-7-16)5-8-17(2)12(18)11(13)9-15-14;1-2/h9-10,15H,3-8,13-14H2,1-2H3;1-2H3/b11-9-;
InChIKeyPFLBEHJTAZMNNI-KSIDEHCFSA-N
MW285.44 g/mol
LogP0.47
Rot. Bonds5

About (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane

(Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane (PubChem CID 144649704) has the molecular formula C14H31N5O and a molecular weight of 285.44 g/mol. Its IUPAC name is (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane.

Molecular Properties

Compound Name(Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane
PubChem CID144649704
Molecular FormulaC14H31N5O
Molecular Weight285.44 g/mol
Exact Mass285.25
IUPAC Name(Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane
SMILESCC.CN1CCC(CCN(C)C(=O)/C(N)=C/NN)CC1
InChIInChI=1S/C12H25N5O.C2H6/c1-16-6-3-10(4-7-16)5-8-17(2)12(18)11(13)9-15-14;1-2/h9-10,15H,3-8,13-14H2,1-2H3;1-2H3/b11-9-;
InChIKeyPFLBEHJTAZMNNI-KSIDEHCFSA-N
XLogP0.47
TPSA87.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane with MolForge

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Related Compounds

N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide
CID 90224495
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 90226850
(Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide
CID 144649705
(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide
CID 144649728
(Z)-3-amino-1-(6-azaspiro[2.5]octan-6-yl)-2-hydrazinylprop-2-en-1-one
CID 153562979
(Z)-2-amino-3-hydrazinyl-1-piperidin-1-ylprop-2-en-1-one
CID 156640615
N-[(1-isobutyryl-4-piperidinyl)methyl]-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxamide
CID 162631031
(Z)-2-amino-3-[amino(methyl)amino]-1-(3-azabicyclo[3.1.0]hexan-3-yl)prop-2-en-1-one
CID 168960987

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane?
The IUPAC name of (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane (CID 144649704) is (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane.
What is the SMILES notation for (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane?
The canonical SMILES for (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane is CC.CN1CCC(CCN(C)C(=O)/C(N)=C/NN)CC1.
What is the InChIKey of (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane?
The InChIKey is PFLBEHJTAZMNNI-KSIDEHCFSA-N. The full InChI is InChI=1S/C12H25N5O.C2H6/c1-16-6-3-10(4-7-16)5-8-17(2)12(18)11(13)9-15-14;1-2/h9-10,15H,3-8,13-14H2,1-2H3;1-2H3/b11-9-;.
What are the key properties of (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane?
(Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane has a molecular weight of 285.44 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane is sourced from PubChem (CID 144649704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).