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

C14H26N2O — CID 79145263

IUPACN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1CC(C)C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-6-7-15-9-12-13(17-10-16-12)8-11(2)14(3,4)5/h10-11,15H,6-9H2,1-5H3
InChIKeySRINFKWCXCJUNZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.40
Rot. Bonds6

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

N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79145263) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79145263
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1CC(C)C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-6-7-15-9-12-13(17-10-16-12)8-11(2)14(3,4)5/h10-11,15H,6-9H2,1-5H3
InChIKeySRINFKWCXCJUNZ-UHFFFAOYSA-N
XLogP3.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112605899
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144806
N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146016
N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114877624
N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145725
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183651
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145821
N-[(5-propyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79146098
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145639
5-(2-methylpropyl)-4-propyl-1,3-oxazole
CID 88974463
N-[[5-(3,4,5-trifluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146106
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 114019049

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79145263) is N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1ncoc1CC(C)C(C)(C)C.
What is the InChIKey of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is SRINFKWCXCJUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-7-15-9-12-13(17-10-16-12)8-11(2)14(3,4)5/h10-11,15H,6-9H2,1-5H3.
What are the key properties of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79145263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).