N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine

C8H15N3O — CID 112709417

IUPACN'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine
SMILESCc1cnc(N(C)CCCN)o1
InChIInChI=1S/C8H15N3O/c1-7-6-10-8(12-7)11(2)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyHQMMCFNRIAZYOA-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.77
Rot. Bonds4

About N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine

N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine (PubChem CID 112709417) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine
PubChem CID112709417
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine
SMILESCc1cnc(N(C)CCCN)o1
InChIInChI=1S/C8H15N3O/c1-7-6-10-8(12-7)11(2)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyHQMMCFNRIAZYOA-UHFFFAOYSA-N
XLogP0.77
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 12556854
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CID 131440620
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CID 13904461
CID 13904461
CID 119091426
CID 119091426
CID 84762081
CID 84762081
CID 84762379
CID 84762379
CID 130678704
CID 130678704
CID 131206980
CID 131206980
CID 12556853
CID 12556853
CID 18683475
CID 18683475

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine (CID 112709417) is N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine is Cc1cnc(N(C)CCCN)o1.
What is the InChIKey of N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine?
The InChIKey is HQMMCFNRIAZYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7-6-10-8(12-7)11(2)5-3-4-9/h6H,3-5,9H2,1-2H3.
What are the key properties of N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine?
N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine has a molecular weight of 169.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5-methyl-1,3-oxazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 112709417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).