2-tert-butyloxane-3-carbohydrazide

C10H20N2O2 — CID 131173524

IUPAC2-tert-butyloxane-3-carbohydrazide
SMILESCC(C)(C)C1OCCCC1C(=O)NN
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8-7(9(13)12-11)5-4-6-14-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyNXBRBSPOMTXFJP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.82
Rot. Bonds1

About 2-tert-butyloxane-3-carbohydrazide

2-tert-butyloxane-3-carbohydrazide (PubChem CID 131173524) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-tert-butyloxane-3-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyloxane-3-carbohydrazide
PubChem CID131173524
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-tert-butyloxane-3-carbohydrazide
SMILESCC(C)(C)C1OCCCC1C(=O)NN
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8-7(9(13)12-11)5-4-6-14-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyNXBRBSPOMTXFJP-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyloxolane-3-carbohydrazide
CID 122235525
cis-(1R,2S)-2-hydroxycyclopentane-1-carbohydrazide
CID 14687010
(2-tert-butyloxan-3-yl)methanol
CID 79373679
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
2-[(2-tert-butyloxan-3-yl)methyl]-1-ethylguanidine
CID 111622990
2-[(2-tert-butyloxan-3-yl)methyl]-1-cyclopropylguanidine
CID 111428540
(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
CID 130892243
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide
CID 124595857
7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride
CID 119795866
cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide
CID 139509215
2-[(2-tert-butyloxan-3-yl)methyl]-1-propylguanidine;hydroiodide
CID 111816155

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyloxane-3-carbohydrazide?
The IUPAC name of 2-tert-butyloxane-3-carbohydrazide (CID 131173524) is 2-tert-butyloxane-3-carbohydrazide.
What is the SMILES notation for 2-tert-butyloxane-3-carbohydrazide?
The canonical SMILES for 2-tert-butyloxane-3-carbohydrazide is CC(C)(C)C1OCCCC1C(=O)NN.
What is the InChIKey of 2-tert-butyloxane-3-carbohydrazide?
The InChIKey is NXBRBSPOMTXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)8-7(9(13)12-11)5-4-6-14-8/h7-8H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 2-tert-butyloxane-3-carbohydrazide?
2-tert-butyloxane-3-carbohydrazide has a molecular weight of 200.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyloxane-3-carbohydrazide is sourced from PubChem (CID 131173524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).