4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine

C16H30N2O — CID 142884980

IUPAC4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC2OC(CCC3CCC(N)CC3)NC2C1
InChIInChI=1S/C16H30N2O/c1-11-2-8-15-14(10-11)18-16(19-15)9-5-12-3-6-13(17)7-4-12/h11-16,18H,2-10,17H2,1H3
InChIKeyKXLWAOQCGSHHCA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds3

About 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine

4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 142884980) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine
PubChem CID142884980
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC2OC(CCC3CCC(N)CC3)NC2C1
InChIInChI=1S/C16H30N2O/c1-11-2-8-15-14(10-11)18-16(19-15)9-5-12-3-6-13(17)7-4-12/h11-16,18H,2-10,17H2,1H3
InChIKeyKXLWAOQCGSHHCA-UHFFFAOYSA-N
XLogP2.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine with MolForge

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Related Compounds

(1R)-3-methylcyclopentan-1-amine
CID 58346799
4-(2-cyclopropylethyl)-2,6-dimethylpiperidine
CID 130507756
2,7-dimethylazepan-4-amine
CID 70340178
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
ethane;4-methylcyclohexan-1-amine
CID 142937577
2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol
CID 142914627
3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine
CID 3020819
(2R,4R)-2-[(2R,5R)-5-ethyloxolan-2-yl]-4-methylpiperidine
CID 124709099
(2R,4S)-2-[(2R,5R)-5-ethyloxolan-2-yl]-4-methylpiperidine
CID 124526522
(2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine
CID 95566939
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
2-[2-(4-methylcyclohexyl)ethyl]oxirane
CID 58971302

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine (CID 142884980) is 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine is CC1CCC2OC(CCC3CCC(N)CC3)NC2C1.
What is the InChIKey of 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is KXLWAOQCGSHHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11-2-8-15-14(10-11)18-16(19-15)9-5-12-3-6-13(17)7-4-12/h11-16,18H,2-10,17H2,1H3.
What are the key properties of 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine?
4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 142884980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).