N-(7-methyloctyl)-1,3-benzoxazol-2-amine

C16H24N2O — CID 107816169

IUPACN-(7-methyloctyl)-1,3-benzoxazol-2-amine
SMILESCC(C)CCCCCCNc1nc2ccccc2o1
InChIInChI=1S/C16H24N2O/c1-13(2)9-5-3-4-8-12-17-16-18-14-10-6-7-11-15(14)19-16/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,18)
InChIKeyWIBCVPKKGFAKEB-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.85
Rot. Bonds8

About N-(7-methyloctyl)-1,3-benzoxazol-2-amine

N-(7-methyloctyl)-1,3-benzoxazol-2-amine (PubChem CID 107816169) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(7-methyloctyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(7-methyloctyl)-1,3-benzoxazol-2-amine
PubChem CID107816169
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(7-methyloctyl)-1,3-benzoxazol-2-amine
SMILESCC(C)CCCCCCNc1nc2ccccc2o1
InChIInChI=1S/C16H24N2O/c1-13(2)9-5-3-4-8-12-17-16-18-14-10-6-7-11-15(14)19-16/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,18)
InChIKeyWIBCVPKKGFAKEB-UHFFFAOYSA-N
XLogP4.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.85
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-(5-methylhexyl)-1,3-benzoxazol-2-amine
CID 79003498
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559
N-[3-(2-methylpropoxy)propyl]-1,3-benzoxazol-2-amine
CID 103609074
N-(4-chlorobutyl)-1,3-benzoxazol-2-amine
CID 106845081
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-(7-methyloctyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(7-methyloctyl)-1,3-benzoxazol-2-amine (CID 107816169) is N-(7-methyloctyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(7-methyloctyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(7-methyloctyl)-1,3-benzoxazol-2-amine is CC(C)CCCCCCNc1nc2ccccc2o1.
What is the InChIKey of N-(7-methyloctyl)-1,3-benzoxazol-2-amine?
The InChIKey is WIBCVPKKGFAKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)9-5-3-4-8-12-17-16-18-14-10-6-7-11-15(14)19-16/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,18).
What are the key properties of N-(7-methyloctyl)-1,3-benzoxazol-2-amine?
N-(7-methyloctyl)-1,3-benzoxazol-2-amine has a molecular weight of 260.38 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 107816169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).