N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine

C15H22N2O — CID 102913887

IUPACN-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
SMILESCC(C)C(CNc1nc2ccccc2o1)C(C)C
InChIInChI=1S/C15H22N2O/c1-10(2)12(11(3)4)9-16-15-17-13-7-5-6-8-14(13)18-15/h5-8,10-12H,9H2,1-4H3,(H,16,17)
InChIKeyHFWWHYJWBLSSNX-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.17
Rot. Bonds5

About N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine

N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine (PubChem CID 102913887) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
PubChem CID102913887
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
SMILESCC(C)C(CNc1nc2ccccc2o1)C(C)C
InChIInChI=1S/C15H22N2O/c1-10(2)12(11(3)4)9-16-15-17-13-7-5-6-8-14(13)18-15/h5-8,10-12H,9H2,1-4H3,(H,16,17)
InChIKeyHFWWHYJWBLSSNX-UHFFFAOYSA-N
XLogP4.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
N-(4-chloro-2-methylbutyl)-1,3-benzoxazol-2-amine
CID 66089941
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(5-methylhexyl)-1,3-benzoxazol-2-amine
CID 79003498
N-(7-methyloctyl)-1,3-benzoxazol-2-amine
CID 107816169
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol
CID 51086727
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine (CID 102913887) is N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine is CC(C)C(CNc1nc2ccccc2o1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine?
The InChIKey is HFWWHYJWBLSSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)12(11(3)4)9-16-15-17-13-7-5-6-8-14(13)18-15/h5-8,10-12H,9H2,1-4H3,(H,16,17).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine?
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine has a molecular weight of 246.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 102913887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).