N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine

C14H30N2O2 — CID 154992765

IUPACN'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine
SMILESC=CCCN(C)CCNCCOCCCCOC
InChIInChI=1S/C14H30N2O2/c1-4-5-10-16(2)11-8-15-9-14-18-13-7-6-12-17-3/h4,15H,1,5-14H2,2-3H3
InChIKeyHDRSSALROOIDLW-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.53
Rot. Bonds14

About N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine

N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 154992765) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine
PubChem CID154992765
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine
SMILESC=CCCN(C)CCNCCOCCCCOC
InChIInChI=1S/C14H30N2O2/c1-4-5-10-16(2)11-8-15-9-14-18-13-7-6-12-17-3/h4,15H,1,5-14H2,2-3H3
InChIKeyHDRSSALROOIDLW-UHFFFAOYSA-N
XLogP1.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine (CID 154992765) is N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine is C=CCCN(C)CCNCCOCCCCOC.
What is the InChIKey of N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is HDRSSALROOIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-5-10-16(2)11-8-15-9-14-18-13-7-6-12-17-3/h4,15H,1,5-14H2,2-3H3.
What are the key properties of N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine?
N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.53, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 154992765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).