N-(5-methylhexyl)-1,3-benzoxazol-2-amine

C14H20N2O — CID 79003498

IUPACN-(5-methylhexyl)-1,3-benzoxazol-2-amine
SMILESCC(C)CCCCNc1nc2ccccc2o1
InChIInChI=1S/C14H20N2O/c1-11(2)7-5-6-10-15-14-16-12-8-3-4-9-13(12)17-14/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,15,16)
InChIKeyHMSJIZWHMTXPLF-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.07
Rot. Bonds6

About N-(5-methylhexyl)-1,3-benzoxazol-2-amine

N-(5-methylhexyl)-1,3-benzoxazol-2-amine (PubChem CID 79003498) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(5-methylhexyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(5-methylhexyl)-1,3-benzoxazol-2-amine
PubChem CID79003498
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(5-methylhexyl)-1,3-benzoxazol-2-amine
SMILESCC(C)CCCCNc1nc2ccccc2o1
InChIInChI=1S/C14H20N2O/c1-11(2)7-5-6-10-15-14-16-12-8-3-4-9-13(12)17-14/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,15,16)
InChIKeyHMSJIZWHMTXPLF-UHFFFAOYSA-N
XLogP4.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(7-methyloctyl)-1,3-benzoxazol-2-amine
CID 107816169
N-[3-(2-methylpropoxy)propyl]-1,3-benzoxazol-2-amine
CID 103609074
N-(4-chlorobutyl)-1,3-benzoxazol-2-amine
CID 106845081
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-[4-(1,3-benzoxazol-2-ylamino)butyl]formamide
CID 87717718
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 133275489
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
N-(4-chloro-2-methylbutyl)-1,3-benzoxazol-2-amine
CID 66089941

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(5-methylhexyl)-1,3-benzoxazol-2-amine (CID 79003498) is N-(5-methylhexyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(5-methylhexyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(5-methylhexyl)-1,3-benzoxazol-2-amine is CC(C)CCCCNc1nc2ccccc2o1.
What is the InChIKey of N-(5-methylhexyl)-1,3-benzoxazol-2-amine?
The InChIKey is HMSJIZWHMTXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)7-5-6-10-15-14-16-12-8-3-4-9-13(12)17-14/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,15,16).
What are the key properties of N-(5-methylhexyl)-1,3-benzoxazol-2-amine?
N-(5-methylhexyl)-1,3-benzoxazol-2-amine has a molecular weight of 232.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 79003498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).