N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine

C17H28N2O — CID 103059446

IUPACN-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-18-16-8-9-20-12-15(16)11-19(4)17-7-6-13(2)10-14(17)3/h6-7,10,15-16,18H,5,8-9,11-12H2,1-4H3
InChIKeyQGSTYZKKLNNHFS-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds5

About N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine

N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine (PubChem CID 103059446) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
PubChem CID103059446
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-18-16-8-9-20-12-15(16)11-19(4)17-7-6-13(2)10-14(17)3/h6-7,10,15-16,18H,5,8-9,11-12H2,1-4H3
InChIKeyQGSTYZKKLNNHFS-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[2-(4-phenyl-2-propan-2-yloxan-4-yl)ethylamino]methyl]aniline
CID 2946332
4-[2-[[4-(Dimethylamino)phenyl]methylamino]ethyl]-2,2-dimethyl-4-oxanol
CID 646846
Carbanilic acid, 2,6-dimethyl-, (1-methyl-3-piperidyl)methyl ester
CID 30374
[4-(dimethylamino)benzyl][2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)ethyl]amine hydrochloride
CID 2835280
Carbanilic acid, o-methyl-, (1-ethyl-3-piperidyl)methyl ester, monohydrochloride
CID 30372
(1-Ethylpiperidin-3-yl)methyl hydrogen (2,6-dimethylphenyl)carbonimidate
CID 30375
N-((4-aminophenyl)methyl)oxan-4-amine
CID 115212399
N-methyl-4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)aniline
CID 44383792
N-(2,6-dimethylphenyl)-N'-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-3-yl]methyl}urea
CID 56749257
1-[2-(Morpholin-4-yl)phenyl]ethan-1-amine
CID 43188721
N,N-dimethyl-4-({[3-(morpholin-4-yl)propyl]amino}methyl)aniline
CID 2979254
3-methyl-N1-(oxan-4-yl)benzene-1,4-diamine
CID 43609784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine (CID 103059446) is N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine is CCNC1CCOCC1CN(C)c1ccc(C)cc1C.
What is the InChIKey of N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine?
The InChIKey is QGSTYZKKLNNHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-16-8-9-20-12-15(16)11-19(4)17-7-6-13(2)10-14(17)3/h6-7,10,15-16,18H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine?
N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine is sourced from PubChem (CID 103059446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).