(2-prop-2-enoylhydrazinyl)methyl-tripropylazanium

C13H28N3O+ — CID 151071649

IUPAC(2-prop-2-enoylhydrazinyl)methyl-tripropylazanium
SMILESC=CC(=O)NNC[N+](CCC)(CCC)CCC
InChIInChI=1S/C13H27N3O/c1-5-9-16(10-6-2,11-7-3)12-14-15-13(17)8-4/h8,14H,4-7,9-12H2,1-3H3/p+1
InChIKeyMIGIUCNPERPOPM-UHFFFAOYSA-O
MW242.39 g/mol
LogP1.80
Rot. Bonds10

About (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium

(2-prop-2-enoylhydrazinyl)methyl-tripropylazanium (PubChem CID 151071649) has the molecular formula C13H28N3O+ and a molecular weight of 242.39 g/mol. Its IUPAC name is (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium.

Molecular Properties

Compound Name(2-prop-2-enoylhydrazinyl)methyl-tripropylazanium
PubChem CID151071649
Molecular FormulaC13H28N3O+
Molecular Weight242.39 g/mol
Exact Mass242.22
IUPAC Name(2-prop-2-enoylhydrazinyl)methyl-tripropylazanium
SMILESC=CC(=O)NNC[N+](CCC)(CCC)CCC
InChIInChI=1S/C13H27N3O/c1-5-9-16(10-6-2,11-7-3)12-14-15-13(17)8-4/h8,14H,4-7,9-12H2,1-3H3/p+1
InChIKeyMIGIUCNPERPOPM-UHFFFAOYSA-O
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668
chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium
CID 174765196
triethyl-[(prop-2-enoylamino)methyl]azanium
CID 87449059
triethyl-[(prop-2-enoylamino)methyl]azanium chloride
CID 87449058
N'-[2-[2-(2-prop-2-enoylhydrazinyl)ethyldisulfanyl]ethyl]prop-2-enehydrazide
CID 175905331
3-(prop-2-enoylamino)propyl-dipropyl-(3-sulfopropyl)azanium
CID 134346586
N'-methylprop-2-enehydrazide
CID 19086393
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
N'-(1-hydroxypropyl)prop-2-enehydrazide
CID 140549480
N'-(4-hydroxybutyl)prop-2-enehydrazide
CID 87129975
2-methoxyacetic acid;tetrapropylazanium
CID 174750035
2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid
CID 152650647

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium?
The IUPAC name of (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium (CID 151071649) is (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium.
What is the SMILES notation for (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium?
The canonical SMILES for (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium is C=CC(=O)NNC[N+](CCC)(CCC)CCC.
What is the InChIKey of (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium?
The InChIKey is MIGIUCNPERPOPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H27N3O/c1-5-9-16(10-6-2,11-7-3)12-14-15-13(17)8-4/h8,14H,4-7,9-12H2,1-3H3/p+1.
What are the key properties of (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium?
(2-prop-2-enoylhydrazinyl)methyl-tripropylazanium has a molecular weight of 242.39 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enoylhydrazinyl)methyl-tripropylazanium is sourced from PubChem (CID 151071649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).