N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine

C15H20N2O — CID 114095046

IUPACN-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
SMILESCC1(CNc2nc3ccccc3o2)CCCCC1
InChIInChI=1S/C15H20N2O/c1-15(9-5-2-6-10-15)11-16-14-17-12-7-3-4-8-13(12)18-14/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyTWBMQUQWUWJRFZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.21
Rot. Bonds3

About N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine

N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 114095046) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID114095046
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
SMILESCC1(CNc2nc3ccccc3o2)CCCCC1
InChIInChI=1S/C15H20N2O/c1-15(9-5-2-6-10-15)11-16-14-17-12-7-3-4-8-13(12)18-14/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyTWBMQUQWUWJRFZ-UHFFFAOYSA-N
XLogP4.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine (CID 114095046) is N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine is CC1(CNc2nc3ccccc3o2)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is TWBMQUQWUWJRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(9-5-2-6-10-15)11-16-14-17-12-7-3-4-8-13(12)18-14/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine?
N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 244.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 114095046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).