4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine

C14H27N3O — CID 113377666

IUPAC4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine
SMILESCCNCc1coc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C14H27N3O/c1-6-15-7-13-10-18-14(16-13)17(8-11(2)3)9-12(4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyGKDOSWGWIRPJHO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.90
Rot. Bonds8

About 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine

4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine (PubChem CID 113377666) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine
PubChem CID113377666
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine
SMILESCCNCc1coc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C14H27N3O/c1-6-15-7-13-10-18-14(16-13)17(8-11(2)3)9-12(4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyGKDOSWGWIRPJHO-UHFFFAOYSA-N
XLogP2.90
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine (CID 113377666) is 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine is CCNCc1coc(N(CC(C)C)CC(C)C)n1.
What is the InChIKey of 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine?
The InChIKey is GKDOSWGWIRPJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-15-7-13-10-18-14(16-13)17(8-11(2)3)9-12(4)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine?
4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 113377666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).