N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine

C9H19N2O+ — CID 23261376

IUPACN,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine
SMILESCCN(CC)C1=[N+](C)CC(C)O1
InChIInChI=1S/C9H19N2O/c1-5-11(6-2)9-10(4)7-8(3)12-9/h8H,5-7H2,1-4H3/q+1
InChIKeyCDSPAUDWKFHBCZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP0.75
Rot. Bonds2

About N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine

N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine (PubChem CID 23261376) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine
PubChem CID23261376
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC NameN,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine
SMILESCCN(CC)C1=[N+](C)CC(C)O1
InChIInChI=1S/C9H19N2O/c1-5-11(6-2)9-10(4)7-8(3)12-9/h8H,5-7H2,1-4H3/q+1
InChIKeyCDSPAUDWKFHBCZ-UHFFFAOYSA-N
XLogP0.75
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-diethylaminomethyl-2-oxazoline
CID 395856
5-[[Butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 13313620
1-[2-Hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol
CID 18988731
N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine
CID 20523755
N,N-dipropyl-4,5-dihydro-1,3-oxazol-2-amine
CID 20523808
5-methyl-N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523595
N-methyl-N-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 60053896
ethane;N-ethyl-2-methoxy-N,N'-dimethylpropanimidamide
CID 144206839
N,N-di(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
CID 175565036
(2Z)-N,3,5-Trimethyl-1,3-oxazolidin-2-imine
CID 13202354
(2Z)-N-Ethyl-3,5-dimethyl-1,3-oxazolidin-2-imine
CID 13202355
N,N,5-Trimethyl-4,5-dihydro-1,3-oxazol-2-amine
CID 13202358

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine?
The IUPAC name of N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine (CID 23261376) is N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine.
What is the SMILES notation for N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine?
The canonical SMILES for N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine is CCN(CC)C1=[N+](C)CC(C)O1.
What is the InChIKey of N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine?
The InChIKey is CDSPAUDWKFHBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O/c1-5-11(6-2)9-10(4)7-8(3)12-9/h8H,5-7H2,1-4H3/q+1.
What are the key properties of N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine?
N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine has a molecular weight of 171.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine is sourced from PubChem (CID 23261376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).