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

C13H22N2O — CID 103275539

IUPAC4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2ncc(C)o2)CC1
InChIInChI=1S/C13H22N2O/c1-3-11-4-6-12(7-5-11)14-9-13-15-8-10(2)16-13/h8,11-12,14H,3-7,9H2,1-2H3
InChIKeySBBMSKDVAFFEFQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.04
Rot. Bonds4

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

4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 103275539) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID103275539
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2ncc(C)o2)CC1
InChIInChI=1S/C13H22N2O/c1-3-11-4-6-12(7-5-11)14-9-13-15-8-10(2)16-13/h8,11-12,14H,3-7,9H2,1-2H3
InChIKeySBBMSKDVAFFEFQ-UHFFFAOYSA-N
XLogP3.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
CID 106369501
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
CID 62742743
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 103096808
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103275527
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103275609
3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
CID 106378118
N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184115
cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 99790713
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 62758802
N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65391135

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine (CID 103275539) is 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine is CCC1CCC(NCc2ncc(C)o2)CC1.
What is the InChIKey of 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is SBBMSKDVAFFEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-4-6-12(7-5-11)14-9-13-15-8-10(2)16-13/h8,11-12,14H,3-7,9H2,1-2H3.
What are the key properties of 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103275539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).