N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine

C13H26N2O — CID 103069737

IUPACN-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESC=C(CNCC)CN(C)CC1CCCCO1
InChIInChI=1S/C13H26N2O/c1-4-14-9-12(2)10-15(3)11-13-7-5-6-8-16-13/h13-14H,2,4-11H2,1,3H3
InChIKeyOEOXDGDHOIHUFR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds7

About N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine

N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 103069737) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID103069737
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESC=C(CNCC)CN(C)CC1CCCCO1
InChIInChI=1S/C13H26N2O/c1-4-14-9-12(2)10-15(3)11-13-7-5-6-8-16-13/h13-14H,2,4-11H2,1,3H3
InChIKeyOEOXDGDHOIHUFR-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N~1~-Ethyl-N~3~-[(oxan-2-yl)methyl]propane-1,3-diamine
CID 62834649
N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43403618
N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 43403620
N',N'-diethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43403647
N,N,2,2-tetramethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43403665
N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591802
N'-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591812
N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43591813
1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 55014331
N'-methyl-N'-(oxan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 55073779
N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 61431413
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 103069737) is N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine is C=C(CNCC)CN(C)CC1CCCCO1.
What is the InChIKey of N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is OEOXDGDHOIHUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-14-9-12(2)10-15(3)11-13-7-5-6-8-16-13/h13-14H,2,4-11H2,1,3H3.
What are the key properties of N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N-ethyl-N'-methyl-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 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-2-methylidene-N'-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 103069737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).