N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine

C14H24N2O — CID 102673152

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine
SMILESCc1nc(CNCC2CCCC(C)C2)oc1C
InChIInChI=1S/C14H24N2O/c1-10-5-4-6-13(7-10)8-15-9-14-16-11(2)12(3)17-14/h10,13,15H,4-9H2,1-3H3
InChIKeyKSINVDXJQJAMJP-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.21
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine (PubChem CID 102673152) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine
PubChem CID102673152
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine
SMILESCc1nc(CNCC2CCCC(C)C2)oc1C
InChIInChI=1S/C14H24N2O/c1-10-5-4-6-13(7-10)8-15-9-14-16-11(2)12(3)17-14/h10,13,15H,4-9H2,1-3H3
InChIKeyKSINVDXJQJAMJP-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(3-methylcyclohexyl)methyl]guanidine
CID 109430605
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372516
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 54914546
5-(ethylaminomethyl)-N-[(3-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114131448
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 102673271
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143968
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine
CID 106372885
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921607

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine (CID 102673152) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine is Cc1nc(CNCC2CCCC(C)C2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine?
The InChIKey is KSINVDXJQJAMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-5-4-6-13(7-10)8-15-9-14-16-11(2)12(3)17-14/h10,13,15H,4-9H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine has a molecular weight of 236.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 102673152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).