N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine

C13H22N2O — CID 79496112

IUPACN-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccon2)CC1
InChIInChI=1S/C13H22N2O/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-16-15-13/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyZCIRBNVRXZTVAB-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.12
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine

N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine (PubChem CID 79496112) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine
PubChem CID79496112
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccon2)CC1
InChIInChI=1S/C13H22N2O/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-16-15-13/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyZCIRBNVRXZTVAB-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 79496315
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 81171188
N-(1,2-oxazol-3-ylmethyl)thian-4-amine
CID 79496113
N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothian-4-amine
CID 81171423
4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cycloheptan-1-amine
CID 81169980
4-propyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexan-1-amine
CID 103437694
N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine
CID 103562122
N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 115652704
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284882
2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170767
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine (CID 79496112) is N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCc2ccon2)CC1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine?
The InChIKey is ZCIRBNVRXZTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-16-15-13/h8-9,11-12,14H,2-7,10H2,1H3.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine?
N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 79496112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).