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

C12H22N2O — CID 65184333

IUPACN-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(CCC(C)C)o1
InChIInChI=1S/C12H22N2O/c1-4-7-13-9-12-14-8-11(15-12)6-5-10(2)3/h8,10,13H,4-7,9H2,1-3H3
InChIKeyMQZXHPISCFAYSM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.76
Rot. Bonds7

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

N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65184333) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65184333
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(CCC(C)C)o1
InChIInChI=1S/C12H22N2O/c1-4-7-13-9-12-14-8-11(15-12)6-5-10(2)3/h8,10,13H,4-7,9H2,1-3H3
InChIKeyMQZXHPISCFAYSM-UHFFFAOYSA-N
XLogP2.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.76
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-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182651
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-2-yl]methyl]propan-1-amine
CID 65183700
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183913
2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 113382250
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
N-[(5-butyl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 65184198
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114180265
2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114877256
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183412

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65184333) is N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(CCC(C)C)o1.
What is the InChIKey of N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is MQZXHPISCFAYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-13-9-12-14-8-11(15-12)6-5-10(2)3/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65184333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).