N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine

C11H20N2O — CID 103096842

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ncc(C)o1
InChIInChI=1S/C11H20N2O/c1-4-5-6-9(2)12-8-11-13-7-10(3)14-11/h7,9,12H,4-6,8H2,1-3H3
InChIKeyKXPIHFMGYDXNON-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.65
Rot. Bonds6

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine (PubChem CID 103096842) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
PubChem CID103096842
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ncc(C)o1
InChIInChI=1S/C11H20N2O/c1-4-5-6-9(2)12-8-11-13-7-10(3)14-11/h7,9,12H,4-6,8H2,1-3H3
InChIKeyKXPIHFMGYDXNON-UHFFFAOYSA-N
XLogP2.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine (CID 103096842) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine is CCCCC(C)NCc1ncc(C)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine?
The InChIKey is KXPIHFMGYDXNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-9(2)12-8-11-13-7-10(3)14-11/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine has a molecular weight of 196.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine is sourced from PubChem (CID 103096842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).