1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine

C13H18N2O — CID 43118594

IUPAC1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)Cc1nc2ccccc2o1
InChIInChI=1S/C13H18N2O/c1-9(2)7-10(14)8-13-15-11-5-3-4-6-12(11)16-13/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyGXXFALMJHZDIMD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.74
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine

1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine (PubChem CID 43118594) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
PubChem CID43118594
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)Cc1nc2ccccc2o1
InChIInChI=1S/C13H18N2O/c1-9(2)7-10(14)8-13-15-11-5-3-4-6-12(11)16-13/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyGXXFALMJHZDIMD-UHFFFAOYSA-N
XLogP2.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine
CID 43118542
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-ylmethylsulfanyl)propan-2-amine
CID 66217967
2-but-2-enyl-1,3-benzoxazole
CID 86020978
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)-4-methylpentan-2-amine?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine (CID 43118594) is 1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine is CC(C)CC(N)Cc1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine?
The InChIKey is GXXFALMJHZDIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)7-10(14)8-13-15-11-5-3-4-6-12(11)16-13/h3-6,9-10H,7-8,14H2,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine?
1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.74, 4 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)-4-methylpentan-2-amine is sourced from PubChem (CID 43118594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).