N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine

C16H34N2O — CID 63713223

IUPACN,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-5-16(6-2,13-17-7-3)14-18(4)12-15-8-10-19-11-9-15/h15,17H,5-14H2,1-4H3
InChIKeyQBQNKKLDPARYSR-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds9

About N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine

N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine (PubChem CID 63713223) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
PubChem CID63713223
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-5-16(6-2,13-17-7-3)14-18(4)12-15-8-10-19-11-9-15/h15,17H,5-14H2,1-4H3
InChIKeyQBQNKKLDPARYSR-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)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

2-(bromomethyl)-2-ethyl-N-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 65003847
N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257932
N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024
N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713235
N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
CID 63713052
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 55175585
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62261307
N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63712871
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63234674
N,2,2-triethyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82743290
N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 55051396
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine (CID 63713223) is N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine is CCNCC(CC)(CC)CN(C)CC1CCOCC1.
What is the InChIKey of N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The InChIKey is QBQNKKLDPARYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-16(6-2,13-17-7-3)14-18(4)12-15-8-10-19-11-9-15/h15,17H,5-14H2,1-4H3.
What are the key properties of N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63713223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).