N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine

C9H20N2 — CID 123878182

IUPACN'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCC=CN(C)CCNCC
InChIInChI=1S/C9H20N2/c1-4-6-8-11(3)9-7-10-5-2/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyAGOZHVAUPDQOLR-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.45
Rot. Bonds6

About N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine

N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 123878182) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID123878182
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCC=CN(C)CCNCC
InChIInChI=1S/C9H20N2/c1-4-6-8-11(3)9-7-10-5-2/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyAGOZHVAUPDQOLR-UHFFFAOYSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine (CID 123878182) is N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine is CCC=CN(C)CCNCC.
What is the InChIKey of N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is AGOZHVAUPDQOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-6-8-11(3)9-7-10-5-2/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine?
N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 123878182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).