dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate

C15H29BrK2N2O3 — CID 159440270

IUPACdipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate
SMILESC#CCBr.C#CCN(CC)CC.CCNCC.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C7H13N.C4H11N.C3H3Br.CH2O3.2K.H/c1-4-7-8(5-2)6-3;1-3-5-4-2;1-2-3-4;2-1-4-3;;;/h1H,5-7H2,2-3H3;5H,3-4H2,1-2H3;1H,3H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyHYVVETHSKHINIH-UHFFFAOYSA-M
MW443.51 g/mol
LogP-4.85
Rot. Bonds6

About dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate

dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate (PubChem CID 159440270) has the molecular formula C15H29BrK2N2O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate
PubChem CID159440270
Molecular FormulaC15H29BrK2N2O3
Molecular Weight443.51 g/mol
Exact Mass442.06
IUPAC Namedipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate
SMILESC#CCBr.C#CCN(CC)CC.CCNCC.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C7H13N.C4H11N.C3H3Br.CH2O3.2K.H/c1-4-7-8(5-2)6-3;1-3-5-4-2;1-2-3-4;2-1-4-3;;;/h1H,5-7H2,2-3H3;5H,3-4H2,1-2H3;1H,3H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyHYVVETHSKHINIH-UHFFFAOYSA-M
XLogP-4.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 5-4.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 159942623
CID 159942623
azane;N,N-diethylethanamine;N-ethylethanamine
CID 172815091
N-(2-chloroethyl)-N-ethylprop-2-yn-1-amine
CID 55302834
dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile
CID 158157610
1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol
CID 139342756
dipotassium;sodium;acetic acid;bromoethane;but-2-yne;ethane;hydride;methanol;methoxyethane;methyl acetate;2-methylbut-3-yn-2-ol;oxido formate;prop-1-yne;hydroxide
CID 159749469
N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene
CID 87417132
N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 130666079
carbon dioxide;bis(N-ethylethanamine)
CID 160826902
N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine
CID 165464055
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
dipotassium;chloromethyl(trimethyl)silane;N-ethyl-N'-(trimethylsilylmethyl)propane-1,3-diamine;hydride;oxido formate;propane-1,3-diamine
CID 157388343

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate?
The IUPAC name of dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate (CID 159440270) is dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate.
What is the SMILES notation for dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate?
The canonical SMILES for dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate is C#CCBr.C#CCN(CC)CC.CCNCC.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate?
The InChIKey is HYVVETHSKHINIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13N.C4H11N.C3H3Br.CH2O3.2K.H/c1-4-7-8(5-2)6-3;1-3-5-4-2;1-2-3-4;2-1-4-3;;;/h1H,5-7H2,2-3H3;5H,3-4H2,1-2H3;1H,3H2;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate?
dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate has a molecular weight of 443.51 g/mol, XLogP of -4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-bromoprop-1-yne;N,N-diethylprop-2-yn-1-amine;N-ethylethanamine;hydride;oxido formate is sourced from PubChem (CID 159440270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).