(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide

C11H19N3O — CID 178020094

IUPAC(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide
SMILESC=C(/C=C\C=N\C)C(=O)NCCCCN
InChIInChI=1S/C11H19N3O/c1-10(6-5-8-13-2)11(15)14-9-4-3-7-12/h5-6,8H,1,3-4,7,9,12H2,2H3,(H,14,15)/b6-5-,13-8+
InChIKeyYWAHQNIEXNSWGS-AVHOOITRSA-N
MW209.29 g/mol
LogP0.65
Rot. Bonds7

About (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide

(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide (PubChem CID 178020094) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide
PubChem CID178020094
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide
SMILESC=C(/C=C\C=N\C)C(=O)NCCCCN
InChIInChI=1S/C11H19N3O/c1-10(6-5-8-13-2)11(15)14-9-4-3-7-12/h5-6,8H,1,3-4,7,9,12H2,2H3,(H,14,15)/b6-5-,13-8+
InChIKeyYWAHQNIEXNSWGS-AVHOOITRSA-N
XLogP0.65
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
CID 88539843
(E)-N-(6-aminohexyl)-N'-formyl-4-methylidenepent-2-enediamide
CID 178025115
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide
CID 123900688
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine
CID 22616707

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide?
The IUPAC name of (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide (CID 178020094) is (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide.
What is the SMILES notation for (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide?
The canonical SMILES for (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide is C=C(/C=C\C=N\C)C(=O)NCCCCN.
What is the InChIKey of (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide?
The InChIKey is YWAHQNIEXNSWGS-AVHOOITRSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(6-5-8-13-2)11(15)14-9-4-3-7-12/h5-6,8H,1,3-4,7,9,12H2,2H3,(H,14,15)/b6-5-,13-8+.
What are the key properties of (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide?
(Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide has a molecular weight of 209.29 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-aminobutyl)-2-methylidene-5-methyliminopent-3-enamide is sourced from PubChem (CID 178020094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).