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

C16H28N2O — CID 107448603

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1noc(C)c1C(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C16H28N2O/c1-10(2)14-7-6-8-15(9-14)17-11(3)16-12(4)18-19-13(16)5/h10-11,14-15,17H,6-9H2,1-5H3
InChIKeyKQKRJNFTVRRBSK-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.16
Rot. Bonds4

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448603) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448603
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1noc(C)c1C(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C16H28N2O/c1-10(2)14-7-6-8-15(9-14)17-11(3)16-12(4)18-19-13(16)5/h10-11,14-15,17H,6-9H2,1-5H3
InChIKeyKQKRJNFTVRRBSK-UHFFFAOYSA-N
XLogP4.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.16
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
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428578
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]cyclohex-2-en-1-amine
CID 104577646
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998955
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79237238
N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448054
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 79231071
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-ethoxyspiro[3.4]octan-1-amine
CID 79231073
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448603) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine is Cc1noc(C)c1C(C)NC1CCCC(C(C)C)C1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is KQKRJNFTVRRBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(2)14-7-6-8-15(9-14)17-11(3)16-12(4)18-19-13(16)5/h10-11,14-15,17H,6-9H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 4.16, 4 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-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).