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

C12H26N2O — CID 103069834

IUPACN-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(CC)CCOC
InChIInChI=1S/C12H26N2O/c1-5-7-13-10-12(3)11-14(6-2)8-9-15-4/h13H,3,5-11H2,1-2,4H3
InChIKeyVAANVEUICSBUTJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.51
Rot. Bonds10

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

N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine (PubChem CID 103069834) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine
PubChem CID103069834
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(CC)CCOC
InChIInChI=1S/C12H26N2O/c1-5-7-13-10-12(3)11-14(6-2)8-9-15-4/h13H,3,5-11H2,1-2,4H3
InChIKeyVAANVEUICSBUTJ-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-3-methylbut-2-en-1-amine
CID 60061035
N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-en-1-amine
CID 60687136
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
N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine
CID 163853615
Dilithium bis(2-methanidylprop-2-enyl-bis(2-methoxyethyl)azanium)
CID 50932750

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine (CID 103069834) is N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine is C=C(CNCCC)CN(CC)CCOC.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine?
The InChIKey is VAANVEUICSBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-7-13-10-12(3)11-14(6-2)8-9-15-4/h13H,3,5-11H2,1-2,4H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine?
N-ethyl-N-(2-methoxyethyl)-2-methylidene-N'-propylpropane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.51, 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'-propylpropane-1,3-diamine is sourced from PubChem (CID 103069834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).