N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

C14H22N2O — CID 79237238

IUPACN-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1C(C)NC(C1CC1)C1CC1
InChIInChI=1S/C14H22N2O/c1-8(13-9(2)16-17-10(13)3)15-14(11-4-5-11)12-6-7-12/h8,11-12,14-15H,4-7H2,1-3H3
InChIKeyIJDUTXSXZLWLAE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.13
Rot. Bonds5

About N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 79237238) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID79237238
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1C(C)NC(C1CC1)C1CC1
InChIInChI=1S/C14H22N2O/c1-8(13-9(2)16-17-10(13)3)15-14(11-4-5-11)12-6-7-12/h8,11-12,14-15H,4-7H2,1-3H3
InChIKeyIJDUTXSXZLWLAE-UHFFFAOYSA-N
XLogP3.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (CID 79237238) is N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is Cc1noc(C)c1C(C)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is IJDUTXSXZLWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-8(13-9(2)16-17-10(13)3)15-14(11-4-5-11)12-6-7-12/h8,11-12,14-15H,4-7H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 79237238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).