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

C11H24N2O — CID 65228049

IUPAC2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCC(CN)CN(C)C1CCOCC1
InChIInChI=1S/C11H24N2O/c1-3-10(8-12)9-13(2)11-4-6-14-7-5-11/h10-11H,3-9,12H2,1-2H3
InChIKeyKOFKATOXYHAKSW-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds5

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

2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 65228049) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID65228049
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCC(CN)CN(C)C1CCOCC1
InChIInChI=1S/C11H24N2O/c1-3-10(8-12)9-13(2)11-4-6-14-7-5-11/h10-11H,3-9,12H2,1-2H3
InChIKeyKOFKATOXYHAKSW-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 63937893
6-[methyl(oxan-4-yl)amino]hexan-3-ol
CID 106802302
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine
CID 144600556
2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 62258589
1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 104744928
2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 115251525
N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine
CID 116679458
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 62386127

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 65228049) is 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is CCC(CN)CN(C)C1CCOCC1.
What is the InChIKey of 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is KOFKATOXYHAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-10(8-12)9-13(2)11-4-6-14-7-5-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 65228049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).