1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine

C14H20N2O — CID 43118542

IUPAC1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine
SMILESCC(C)CCC(N)Cc1nc2ccccc2o1
InChIInChI=1S/C14H20N2O/c1-10(2)7-8-11(15)9-14-16-12-5-3-4-6-13(12)17-14/h3-6,10-11H,7-9,15H2,1-2H3
InChIKeyFAYBENGDPPMXSN-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.13
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine

1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine (PubChem CID 43118542) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine
PubChem CID43118542
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine
SMILESCC(C)CCC(N)Cc1nc2ccccc2o1
InChIInChI=1S/C14H20N2O/c1-10(2)7-8-11(15)9-14-16-12-5-3-4-6-13(12)17-14/h3-6,10-11H,7-9,15H2,1-2H3
InChIKeyFAYBENGDPPMXSN-UHFFFAOYSA-N
XLogP3.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
CID 43118594
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
1-(1,3-benzoxazol-2-yl)-3-methylsulfonylbutan-2-amine
CID 104520108
2-(2-bromo-3,4-dimethylpentyl)-1,3-benzoxazole
CID 66460230
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-one
CID 28934808
1-(1,3-benzoxazol-2-ylmethylsulfanyl)propan-2-amine
CID 66217967
2-ethyl-1,3-benzoxazole
CID 23239
2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43118536
2-(2-bromo-4,4-dimethylpentyl)-1,3-benzoxazole
CID 66461437
2-(1,3-benzoxazol-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107980650

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine (CID 43118542) is 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine is CC(C)CCC(N)Cc1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine?
The InChIKey is FAYBENGDPPMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)7-8-11(15)9-14-16-12-5-3-4-6-13(12)17-14/h3-6,10-11H,7-9,15H2,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine?
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine is sourced from PubChem (CID 43118542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).