1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C13H25N3O — CID 43210207

IUPAC1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCc1noc(C)c1CNCC(C(C)C)N(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)13(16(5)6)8-14-7-12-10(3)15-17-11(12)4/h9,13-14H,7-8H2,1-6H3
InChIKeyCBBYULMHWIENLO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.97
Rot. Bonds6

About 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43210207) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43210207
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCc1noc(C)c1CNCC(C(C)C)N(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)13(16(5)6)8-14-7-12-10(3)15-17-11(12)4/h9,13-14H,7-8H2,1-6H3
InChIKeyCBBYULMHWIENLO-UHFFFAOYSA-N
XLogP1.97
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine with MolForge

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Related Compounds

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine
CID 97047825
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43183533
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912372
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylacetamide
CID 43214592
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109817
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28781588

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43210207) is 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is Cc1noc(C)c1CNCC(C(C)C)N(C)C.
What is the InChIKey of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is CBBYULMHWIENLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)13(16(5)6)8-14-7-12-10(3)15-17-11(12)4/h9,13-14H,7-8H2,1-6H3.
What are the key properties of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 239.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43210207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).