N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C17H30N2O — CID 115998955

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCc1noc(C)c1C(C)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H30N2O/c1-11(15-12(2)19-20-13(15)3)18-14-8-16(4,5)10-17(6,7)9-14/h11,14,18H,8-10H2,1-7H3
InChIKeyQVXZFLYOYYFUEC-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.55
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 115998955) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID115998955
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCc1noc(C)c1C(C)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H30N2O/c1-11(15-12(2)19-20-13(15)3)18-14-8-16(4,5)10-17(6,7)9-14/h11,14,18H,8-10H2,1-7H3
InChIKeyQVXZFLYOYYFUEC-UHFFFAOYSA-N
XLogP4.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanamine
CID 79237126
3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 79462313
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448603
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903316
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 79236127
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428578
N-[1-(2,6-difluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998836
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 79231071
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79237238
3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine
CID 104577646
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701249

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 115998955) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is Cc1noc(C)c1C(C)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is QVXZFLYOYYFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-11(15-12(2)19-20-13(15)3)18-14-8-16(4,5)10-17(6,7)9-14/h11,14,18H,8-10H2,1-7H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 115998955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).