N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine

C9H20N2O — CID 103339366

IUPACN'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCN(CCCN)CCOC
InChIInChI=1S/C9H20N2O/c1-3-6-11(7-4-5-10)8-9-12-2/h3H,1,4-10H2,2H3
InChIKeyMIKOMKFMMMXVER-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.47
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine

N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine (PubChem CID 103339366) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
PubChem CID103339366
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCN(CCCN)CCOC
InChIInChI=1S/C9H20N2O/c1-3-6-11(7-4-5-10)8-9-12-2/h3H,1,4-10H2,2H3
InChIKeyMIKOMKFMMMXVER-UHFFFAOYSA-N
XLogP0.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.47
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'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine
CID 103339345
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N'-(2-methoxyethyl)-N-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 103339315
3-[3-aminopropyl(prop-2-enyl)amino]propan-1-ol
CID 175006752
N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339375
2-[3-aminopropyl(2-methoxyethyl)amino]ethanol
CID 63287082
1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339269
N,N'-bis(2-methoxyethyl)-N'-prop-2-enylethane-1,2-diamine
CID 103339442
N'-(2-ethoxyethyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55220253
4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide
CID 103340731
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine (CID 103339366) is N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine is C=CCN(CCCN)CCOC.
What is the InChIKey of N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine?
The InChIKey is MIKOMKFMMMXVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-6-11(7-4-5-10)8-9-12-2/h3H,1,4-10H2,2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine?
N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine is sourced from PubChem (CID 103339366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).