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

C13H28N2O — CID 62258589

IUPAC2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-4-13(5-2,10-14)11-15(3)12-6-8-16-9-7-12/h12H,4-11,14H2,1-3H3
InChIKeyNLGJCPHJJPRKAE-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

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

2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 62258589) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID62258589
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-4-13(5-2,10-14)11-15(3)12-6-8-16-9-7-12/h12H,4-11,14H2,1-3H3
InChIKeyNLGJCPHJJPRKAE-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 62260394
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine
CID 65004978
2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butane-1-thiol
CID 82744856
N'-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62256858
2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743370
2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 62834091
N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 55051396
2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide
CID 63909546
3,3-dimethyl-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 115220305
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 62258589) is 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is CCC(CC)(CN)CN(C)C1CCOCC1.
What is the InChIKey of 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is NLGJCPHJJPRKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(5-2,10-14)11-15(3)12-6-8-16-9-7-12/h12H,4-11,14H2,1-3H3.
What are the key properties of 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62258589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).