N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine

C15H20N2O — CID 114265543

IUPACN-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine
SMILESCC1(C)CCCC(Nc2noc3ccccc23)C1
InChIInChI=1S/C15H20N2O/c1-15(2)9-5-6-11(10-15)16-14-12-7-3-4-8-13(12)18-17-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyRGPJFMDDMUNEFY-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.21
Rot. Bonds2

About N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine

N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine (PubChem CID 114265543) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine
PubChem CID114265543
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine
SMILESCC1(C)CCCC(Nc2noc3ccccc23)C1
InChIInChI=1S/C15H20N2O/c1-15(2)9-5-6-11(10-15)16-14-12-7-3-4-8-13(12)18-17-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyRGPJFMDDMUNEFY-UHFFFAOYSA-N
XLogP4.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
CID 114548093
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659849
N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine
CID 80679367
3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 81435291
2-bromo-N-(3,3-dimethylcyclohexyl)-6-fluoroaniline
CID 107598041
5-chloro-4-N-(3,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 106812467
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
CID 81422757
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine
CID 102759264
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CID 106577714

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine (CID 114265543) is N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine is CC1(C)CCCC(Nc2noc3ccccc23)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine?
The InChIKey is RGPJFMDDMUNEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2)9-5-6-11(10-15)16-14-12-7-3-4-8-13(12)18-17-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine?
N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine has a molecular weight of 244.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 114265543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).