N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine

C10H22N2O — CID 76946827

IUPACN-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCC=CCOCCNCCN(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-9-13-10-7-11-6-8-12(2)3/h4-5,11H,6-10H2,1-3H3
InChIKeyHEGGNNRSTCINAR-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.73
Rot. Bonds8

About N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine

N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 76946827) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID76946827
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCC=CCOCCNCCN(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-9-13-10-7-11-6-8-12(2)3/h4-5,11H,6-10H2,1-3H3
InChIKeyHEGGNNRSTCINAR-UHFFFAOYSA-N
XLogP0.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.73
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'}

Analyze N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine (CID 76946827) is N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine is CC=CCOCCNCCN(C)C.
What is the InChIKey of N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is HEGGNNRSTCINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-9-13-10-7-11-6-8-12(2)3/h4-5,11H,6-10H2,1-3H3.
What are the key properties of N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine?
N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 76946827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).