N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine

C18H30N2O — CID 62629425

IUPACN-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCNC(CCN(C)C1CCOCC1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-4-19-18(17-8-6-5-7-15(17)2)9-12-20(3)16-10-13-21-14-11-16/h5-8,16,18-19H,4,9-14H2,1-3H3
InChIKeyWWPGKRJTTXKGQI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.15
Rot. Bonds7

About N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine

N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 62629425) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID62629425
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCNC(CCN(C)C1CCOCC1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-4-19-18(17-8-6-5-7-15(17)2)9-12-20(3)16-10-13-21-14-11-16/h5-8,16,18-19H,4,9-14H2,1-3H3
InChIKeyWWPGKRJTTXKGQI-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine 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

N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62630412
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743687
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
2-(ethylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64797948
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine (CID 62629425) is N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine is CCNC(CCN(C)C1CCOCC1)c1ccccc1C.
What is the InChIKey of N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is WWPGKRJTTXKGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18(17-8-6-5-7-15(17)2)9-12-20(3)16-10-13-21-14-11-16/h5-8,16,18-19H,4,9-14H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62629425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).