2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

C16H30N2O — CID 65182747

IUPAC2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(Cc1cnc(CCNC(C)(C)C)o1)C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-12(15(2,3)4)10-13-11-17-14(19-13)8-9-18-16(5,6)7/h11-12,18H,8-10H2,1-7H3
InChIKeyBYIUYNVIJSTZSN-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.83
Rot. Bonds5

About 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (PubChem CID 65182747) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
PubChem CID65182747
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(Cc1cnc(CCNC(C)(C)C)o1)C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-12(15(2,3)4)10-13-11-17-14(19-13)8-9-18-16(5,6)7/h11-12,18H,8-10H2,1-7H3
InChIKeyBYIUYNVIJSTZSN-UHFFFAOYSA-N
XLogP3.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (CID 65182747) is 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is CC(Cc1cnc(CCNC(C)(C)C)o1)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The InChIKey is BYIUYNVIJSTZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(15(2,3)4)10-13-11-17-14(19-13)8-9-18-16(5,6)7/h11-12,18H,8-10H2,1-7H3.
What are the key properties of 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 65182747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).