N-amino-N'-tert-butyloxane-2-carboximidamide

C10H21N3O — CID 62213926

IUPACN-amino-N'-tert-butyloxane-2-carboximidamide
SMILESCC(C)(C)/N=C(\NN)C1CCCCO1
InChIInChI=1S/C10H21N3O/c1-10(2,3)12-9(13-11)8-6-4-5-7-14-8/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyMBDRJNVBPBENIG-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.22
Rot. Bonds1

About N-amino-N'-tert-butyloxane-2-carboximidamide

N-amino-N'-tert-butyloxane-2-carboximidamide (PubChem CID 62213926) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-amino-N'-tert-butyloxane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyloxane-2-carboximidamide
PubChem CID62213926
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-amino-N'-tert-butyloxane-2-carboximidamide
SMILESCC(C)(C)/N=C(\NN)C1CCCCO1
InChIInChI=1S/C10H21N3O/c1-10(2,3)12-9(13-11)8-6-4-5-7-14-8/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyMBDRJNVBPBENIG-UHFFFAOYSA-N
XLogP1.22
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclohexyloxolane-2-carboximidamide
CID 61363503
N-amino-N'-(2-methoxyethyl)oxolane-2-carboximidamide
CID 62542670
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide
CID 76937423
3,3-dimethyl-2-(oxane-2-carbonylamino)butanoic acid
CID 55047706
2,2-dimethylpropanoyl oxane-2-carboxylate
CID 175186788
N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
CID 63766692
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
benzene;oxane-2-carboxamide
CID 159532576
CID 168919655
CID 168919655
[3,3-dimethyl-1-(oxan-2-yl)butan-2-yl]hydrazine
CID 105267531
N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
CID 66169153
N-(4-chloro-2,2-dimethylbutyl)oxane-2-carboxamide
CID 106142571

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyloxane-2-carboximidamide?
The IUPAC name of N-amino-N'-tert-butyloxane-2-carboximidamide (CID 62213926) is N-amino-N'-tert-butyloxane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyloxane-2-carboximidamide?
The canonical SMILES for N-amino-N'-tert-butyloxane-2-carboximidamide is CC(C)(C)/N=C(\NN)C1CCCCO1.
What is the InChIKey of N-amino-N'-tert-butyloxane-2-carboximidamide?
The InChIKey is MBDRJNVBPBENIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)12-9(13-11)8-6-4-5-7-14-8/h8H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-N'-tert-butyloxane-2-carboximidamide?
N-amino-N'-tert-butyloxane-2-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyloxane-2-carboximidamide is sourced from PubChem (CID 62213926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).