N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine

C13H28N2O — CID 103069898

IUPACN-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine
SMILESC=C(CNCC)CN(CCOC)CC(C)C
InChIInChI=1S/C13H28N2O/c1-6-14-9-13(4)11-15(7-8-16-5)10-12(2)3/h12,14H,4,6-11H2,1-3,5H3
InChIKeyQGGJZMIEPCLDDM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.76
Rot. Bonds10

About N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine

N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 103069898) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID103069898
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine
SMILESC=C(CNCC)CN(CCOC)CC(C)C
InChIInChI=1S/C13H28N2O/c1-6-14-9-13(4)11-15(7-8-16-5)10-12(2)3/h12,14H,4,6-11H2,1-3,5H3
InChIKeyQGGJZMIEPCLDDM-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.76
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

(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 57257631
N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045
2-methyl-N-(2-propan-2-yloxyethyl)prop-2-en-1-amine
CID 104760084
2-Methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine
CID 123192097
N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine
CID 129257616
N'-(3-methoxypropyl)-N,N'-dimethylpropane-1,3-diamine;2-methylprop-1-ene;molecular hydrogen
CID 145385314
1-(2-Methoxyethyl)-3-methyl-1,5,9-triazacyclododecane
CID 175833973
2-methyl-N-(3-morpholin-4-ylpropyl)prop-2-en-1-amine
CID 60684443
N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 60688533
N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 61567024

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine (CID 103069898) is N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine is C=C(CNCC)CN(CCOC)CC(C)C.
What is the InChIKey of N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is QGGJZMIEPCLDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-14-9-13(4)11-15(7-8-16-5)10-12(2)3/h12,14H,4,6-11H2,1-3,5H3.
What are the key properties of N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine?
N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 103069898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).