N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine

C12H23N3O — CID 103718793

IUPACN'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1noc(C)c1CNCCNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-9-11(10(2)16-15-9)8-13-6-7-14-12(3,4)5/h13-14H,6-8H2,1-5H3
InChIKeyKCEGAYJRKZRSFZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.77
Rot. Bonds5

About N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine

N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 103718793) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID103718793
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1noc(C)c1CNCCNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-9-11(10(2)16-15-9)8-13-6-7-14-12(3,4)5/h13-14H,6-8H2,1-5H3
InChIKeyKCEGAYJRKZRSFZ-UHFFFAOYSA-N
XLogP1.77
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470652
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
CID 79241462
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,4-dimethylpentanenitrile
CID 113240748
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 28781392
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28781588
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240480

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine (CID 103718793) is N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine is Cc1noc(C)c1CNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is KCEGAYJRKZRSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-11(10(2)16-15-9)8-13-6-7-14-12(3,4)5/h13-14H,6-8H2,1-5H3.
What are the key properties of N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 225.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103718793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).