N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C14H27N3O2 — CID 79662014

IUPACN'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(COC)on1)CC(C)(C)CN
InChIInChI=1S/C14H27N3O2/c1-5-6-17(11-14(2,3)10-15)8-12-7-13(9-18-4)19-16-12/h7H,5-6,8-11,15H2,1-4H3
InChIKeyDAQIDWYGAJFAQO-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.02
Rot. Bonds9

About N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79662014) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79662014
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(COC)on1)CC(C)(C)CN
InChIInChI=1S/C14H27N3O2/c1-5-6-17(11-14(2,3)10-15)8-12-7-13(9-18-4)19-16-12/h7H,5-6,8-11,15H2,1-4H3
InChIKeyDAQIDWYGAJFAQO-UHFFFAOYSA-N
XLogP2.02
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79662014) is N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1cc(COC)on1)CC(C)(C)CN.
What is the InChIKey of N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is DAQIDWYGAJFAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-6-17(11-14(2,3)10-15)8-12-7-13(9-18-4)19-16-12/h7H,5-6,8-11,15H2,1-4H3.
What are the key properties of N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 269.39 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79662014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).