N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine

C17H28N2O — CID 103059424

IUPACN-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)c1ccc(CC)cc1
InChIInChI=1S/C17H28N2O/c1-4-14-6-8-16(9-7-14)19(3)12-15-13-20-11-10-17(15)18-5-2/h6-9,15,17-18H,4-5,10-13H2,1-3H3
InChIKeyUMYDNHKMCOCUIV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds6

About N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine

N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine (PubChem CID 103059424) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
PubChem CID103059424
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)c1ccc(CC)cc1
InChIInChI=1S/C17H28N2O/c1-4-14-6-8-16(9-7-14)19(3)12-15-13-20-11-10-17(15)18-5-2/h6-9,15,17-18H,4-5,10-13H2,1-3H3
InChIKeyUMYDNHKMCOCUIV-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
CID 103059446
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
CID 103060638
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103061010
N'-(4-ethylphenyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62553806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine (CID 103059424) is N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine is CCNC1CCOCC1CN(C)c1ccc(CC)cc1.
What is the InChIKey of N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine?
The InChIKey is UMYDNHKMCOCUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14-6-8-16(9-7-14)19(3)12-15-13-20-11-10-17(15)18-5-2/h6-9,15,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine?
N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine is sourced from PubChem (CID 103059424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).