potassium tert-butyl(2,3-dimethoxypropyl)azanide

C9H20KNO2 — CID 145053794

IUPACpotassium tert-butyl(2,3-dimethoxypropyl)azanide
SMILESCOCC(C[N-]C(C)(C)C)OC.[K+]
InChIInChI=1S/C9H20NO2.K/c1-9(2,3)10-6-8(12-5)7-11-4;/h8H,6-7H2,1-5H3;/q-1;+1
InChIKeyHDRJOYXCLPIMFJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP-1.18
Rot. Bonds5

About potassium tert-butyl(2,3-dimethoxypropyl)azanide

potassium tert-butyl(2,3-dimethoxypropyl)azanide (PubChem CID 145053794) has the molecular formula C9H20KNO2 and a molecular weight of 213.36 g/mol. Its IUPAC name is potassium tert-butyl(2,3-dimethoxypropyl)azanide.

Molecular Properties

Compound Namepotassium tert-butyl(2,3-dimethoxypropyl)azanide
PubChem CID145053794
Molecular FormulaC9H20KNO2
Molecular Weight213.36 g/mol
Exact Mass213.11
IUPAC Namepotassium tert-butyl(2,3-dimethoxypropyl)azanide
SMILESCOCC(C[N-]C(C)(C)C)OC.[K+]
InChIInChI=1S/C9H20NO2.K/c1-9(2,3)10-6-8(12-5)7-11-4;/h8H,6-7H2,1-5H3;/q-1;+1
InChIKeyHDRJOYXCLPIMFJ-UHFFFAOYSA-N
XLogP-1.18
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
1,2,5,6-tetramethoxyhexane
CID 18679814
1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
N-(2,3-dimethoxypropyl)-N,2-dimethylpropan-2-amine
CID 118684031
(2S)-2,3-dimethoxypropane-1-thiol
CID 6540412
1,2-dimethoxypentane
CID 22961171
4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane
CID 90159958
4,5-dimethoxypent-1-ene
CID 73040162
(3S)-3,4-dimethoxybutanal
CID 11535563
2,3-dimethoxypropyl 2-aminoacetate
CID 163449313
N-(2,3-dimethoxypropyl)-2-hydroxy-2-methylpropanamide
CID 106509940
1,2-dimethoxy-4-methylhexane
CID 123627097

Frequently Asked Questions

What is the IUPAC name of potassium tert-butyl(2,3-dimethoxypropyl)azanide?
The IUPAC name of potassium tert-butyl(2,3-dimethoxypropyl)azanide (CID 145053794) is potassium tert-butyl(2,3-dimethoxypropyl)azanide.
What is the SMILES notation for potassium tert-butyl(2,3-dimethoxypropyl)azanide?
The canonical SMILES for potassium tert-butyl(2,3-dimethoxypropyl)azanide is COCC(C[N-]C(C)(C)C)OC.[K+].
What is the InChIKey of potassium tert-butyl(2,3-dimethoxypropyl)azanide?
The InChIKey is HDRJOYXCLPIMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2.K/c1-9(2,3)10-6-8(12-5)7-11-4;/h8H,6-7H2,1-5H3;/q-1;+1.
What are the key properties of potassium tert-butyl(2,3-dimethoxypropyl)azanide?
potassium tert-butyl(2,3-dimethoxypropyl)azanide has a molecular weight of 213.36 g/mol, XLogP of -1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tert-butyl(2,3-dimethoxypropyl)azanide is sourced from PubChem (CID 145053794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).