1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine

C14H29ClN2O — CID 21410982

IUPAC1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine
SMILESCCC(N(CC)CC)C1(C)OCCC(C)(C)N1Cl
InChIInChI=1S/C14H29ClN2O/c1-7-12(16(8-2)9-3)14(6)17(15)13(4,5)10-11-18-14/h12H,7-11H2,1-6H3
InChIKeyZXYHFBFMFZLLSC-UHFFFAOYSA-N
MW276.85 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine

1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine (PubChem CID 21410982) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine
PubChem CID21410982
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine
SMILESCCC(N(CC)CC)C1(C)OCCC(C)(C)N1Cl
InChIInChI=1S/C14H29ClN2O/c1-7-12(16(8-2)9-3)14(6)17(15)13(4,5)10-11-18-14/h12H,7-11H2,1-6H3
InChIKeyZXYHFBFMFZLLSC-UHFFFAOYSA-N
XLogP3.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine (CID 21410982) is 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine is CCC(N(CC)CC)C1(C)OCCC(C)(C)N1Cl.
What is the InChIKey of 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine?
The InChIKey is ZXYHFBFMFZLLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClN2O/c1-7-12(16(8-2)9-3)14(6)17(15)13(4,5)10-11-18-14/h12H,7-11H2,1-6H3.
What are the key properties of 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine?
1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine has a molecular weight of 276.85 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 21410982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).