potassium;2-aminopropan-2-yl tetradecanoate;hydride

C17H36KNO2 — CID 173096549

IUPACpotassium;2-aminopropan-2-yl tetradecanoate;hydride
SMILESCCCCCCCCCCCCCC(=O)OC(C)(C)N.[H-].[K+]
InChIInChI=1S/C17H35NO2.K.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(19)20-17(2,3)18;;/h4-15,18H2,1-3H3;;/q;+1;-1
InChIKeyLNALXNOQTYMODL-UHFFFAOYSA-N
MW325.58 g/mol
LogP2.04
Rot. Bonds13

About potassium;2-aminopropan-2-yl tetradecanoate;hydride

potassium;2-aminopropan-2-yl tetradecanoate;hydride (PubChem CID 173096549) has the molecular formula C17H36KNO2 and a molecular weight of 325.58 g/mol. Its IUPAC name is potassium;2-aminopropan-2-yl tetradecanoate;hydride.

Molecular Properties

Compound Namepotassium;2-aminopropan-2-yl tetradecanoate;hydride
PubChem CID173096549
Molecular FormulaC17H36KNO2
Molecular Weight325.58 g/mol
Exact Mass325.24
IUPAC Namepotassium;2-aminopropan-2-yl tetradecanoate;hydride
SMILESCCCCCCCCCCCCCC(=O)OC(C)(C)N.[H-].[K+]
InChIInChI=1S/C17H35NO2.K.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(19)20-17(2,3)18;;/h4-15,18H2,1-3H3;;/q;+1;-1
InChIKeyLNALXNOQTYMODL-UHFFFAOYSA-N
XLogP2.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diaminoethyl octadecanoate
CID 18692830
tert-butyl octacosanoate
CID 174872722
tert-butyl decanoate;hydrochloride
CID 172828660
tert-butyl decanoate;hydrobromide
CID 172791977
butane;tert-butyl nonanoate
CID 175191905
tert-butyl dodecanoate;hydrate
CID 159574999
2-fluoropropan-2-yl hexadecanoate
CID 175252629
9-methylnonadecan-9-yl octadecanoate
CID 87086259
tert-butyl heptanoate;dimethylphosphane
CID 175245603
tert-butyl 6-oxotetradecanoate
CID 134901927
tert-butyl octanoate;oxalic acid
CID 175523196
3-aminohexan-3-yl octanoate
CID 175053383

Frequently Asked Questions

What is the IUPAC name of potassium;2-aminopropan-2-yl tetradecanoate;hydride?
The IUPAC name of potassium;2-aminopropan-2-yl tetradecanoate;hydride (CID 173096549) is potassium;2-aminopropan-2-yl tetradecanoate;hydride.
What is the SMILES notation for potassium;2-aminopropan-2-yl tetradecanoate;hydride?
The canonical SMILES for potassium;2-aminopropan-2-yl tetradecanoate;hydride is CCCCCCCCCCCCCC(=O)OC(C)(C)N.[H-].[K+].
What is the InChIKey of potassium;2-aminopropan-2-yl tetradecanoate;hydride?
The InChIKey is LNALXNOQTYMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2.K.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(19)20-17(2,3)18;;/h4-15,18H2,1-3H3;;/q;+1;-1.
What are the key properties of potassium;2-aminopropan-2-yl tetradecanoate;hydride?
potassium;2-aminopropan-2-yl tetradecanoate;hydride has a molecular weight of 325.58 g/mol, XLogP of 2.04, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-aminopropan-2-yl tetradecanoate;hydride is sourced from PubChem (CID 173096549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).