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

C17H30N2O — CID 107428578

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCc1noc(C)c1C(C)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C17H30N2O/c1-11(2)9-15-7-6-8-16(10-15)18-12(3)17-13(4)19-20-14(17)5/h11-12,15-16,18H,6-10H2,1-5H3
InChIKeyYRIHVFLADPOVKT-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.55
Rot. Bonds5

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428578) 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-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428578
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCc1noc(C)c1C(C)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C17H30N2O/c1-11(2)9-15-7-6-8-16(10-15)18-12(3)17-13(4)19-20-14(17)5/h11-12,15-16,18H,6-10H2,1-5H3
InChIKeyYRIHVFLADPOVKT-UHFFFAOYSA-N
XLogP4.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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]-3-propan-2-ylcyclohexan-1-amine
CID 107448603
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-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998955
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclohex-2-en-1-amine
CID 104577646
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
N-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428492
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428247
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 79231073
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428628
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79237238

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428578) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is Cc1noc(C)c1C(C)NC1CCCC(CC(C)C)C1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is YRIHVFLADPOVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-11(2)9-15-7-6-8-16(10-15)18-12(3)17-13(4)19-20-14(17)5/h11-12,15-16,18H,6-10H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 4.55, 5 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-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).