2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine

C10H20N2O — CID 62569259

IUPAC2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNCC(C)N(C)CCOC
InChIInChI=1S/C10H20N2O/c1-5-6-11-9-10(2)12(3)7-8-13-4/h1,10-11H,6-9H2,2-4H3
InChIKeyGMRKUAAZJCKLNC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.18
Rot. Bonds7

About 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine (PubChem CID 62569259) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
PubChem CID62569259
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNCC(C)N(C)CCOC
InChIInChI=1S/C10H20N2O/c1-5-6-11-9-10(2)12(3)7-8-13-4/h1,10-11H,6-9H2,2-4H3
InChIKeyGMRKUAAZJCKLNC-UHFFFAOYSA-N
XLogP0.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine (CID 62569259) is 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine is C#CCNCC(C)N(C)CCOC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The InChIKey is GMRKUAAZJCKLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-6-11-9-10(2)12(3)7-8-13-4/h1,10-11H,6-9H2,2-4H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine is sourced from PubChem (CID 62569259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).