(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine

C14H26N4O — CID 99933859

IUPAC(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCCN(Cc1ncnn1CC)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C14H26N4O/c1-5-17(10-13-15-11-16-18(13)6-2)12-7-8-19-14(3,4)9-12/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyLBUBWTVTKBZLIQ-LBPRGKRZSA-N
MW266.39 g/mol
LogP2.08
Rot. Bonds5

About (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine

(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 99933859) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID99933859
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCCN(Cc1ncnn1CC)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C14H26N4O/c1-5-17(10-13-15-11-16-18(13)6-2)12-7-8-19-14(3,4)9-12/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyLBUBWTVTKBZLIQ-LBPRGKRZSA-N
XLogP2.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79116068
N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875127
[2-[(2,2-dimethyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 172779414
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2,2-dimethyloxan-4-amine
CID 167991537
(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine
CID 129345216
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 77093844
N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine
CID 126816273
11-[[(2,2-dimethyloxan-4-yl)-ethylamino]methyl]-8-[(4-methoxyphenyl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraen-7-one
CID 118692758
N-(2-bromoethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 80668920
N-(2-chloroethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutanamine
CID 102861301
N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
CID 53351142
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 99929254

Frequently Asked Questions

What is the IUPAC name of (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine (CID 99933859) is (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine is CCN(Cc1ncnn1CC)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is LBUBWTVTKBZLIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-17(10-13-15-11-16-18(13)6-2)12-7-8-19-14(3,4)9-12/h11-12H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine?
(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 266.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 99933859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).