N-ethynoxy-N',N'-dimethylpropane-1,3-diamine

C7H14N2O — CID 20670130

IUPACN-ethynoxy-N',N'-dimethylpropane-1,3-diamine
SMILESC#CONCCCN(C)C
InChIInChI=1S/C7H14N2O/c1-4-10-8-6-5-7-9(2)3/h1,8H,5-7H2,2-3H3
InChIKeyDJRQQVQOOHSBFG-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.05
Rot. Bonds5

About N-ethynoxy-N',N'-dimethylpropane-1,3-diamine

N-ethynoxy-N',N'-dimethylpropane-1,3-diamine (PubChem CID 20670130) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-ethynoxy-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethynoxy-N',N'-dimethylpropane-1,3-diamine
PubChem CID20670130
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-ethynoxy-N',N'-dimethylpropane-1,3-diamine
SMILESC#CONCCCN(C)C
InChIInChI=1S/C7H14N2O/c1-4-10-8-6-5-7-9(2)3/h1,8H,5-7H2,2-3H3
InChIKeyDJRQQVQOOHSBFG-UHFFFAOYSA-N
XLogP0.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethynoxy-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-ethynoxy-N',N'-dimethylpropane-1,3-diamine (CID 20670130) is N-ethynoxy-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-ethynoxy-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-ethynoxy-N',N'-dimethylpropane-1,3-diamine is C#CONCCCN(C)C.
What is the InChIKey of N-ethynoxy-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is DJRQQVQOOHSBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-10-8-6-5-7-9(2)3/h1,8H,5-7H2,2-3H3.
What are the key properties of N-ethynoxy-N',N'-dimethylpropane-1,3-diamine?
N-ethynoxy-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 142.20 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynoxy-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 20670130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).