bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole

C10H26N6 — CID 89311035

IUPACbis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCC1=NCCN1.NCCN.NCCN
InChIInChI=1S/C6H10N2.2C2H8N2/c1-2-3-6-7-4-5-8-6;2*3-1-2-4/h2H,1,3-5H2,(H,7,8);2*1-4H2
InChIKeyWMMBTUNIHXYVKK-UHFFFAOYSA-N
MW230.36 g/mol
LogP-1.63
Rot. Bonds4

About bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole

bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole (PubChem CID 89311035) has the molecular formula C10H26N6 and a molecular weight of 230.36 g/mol. Its IUPAC name is bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Namebis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole
PubChem CID89311035
Molecular FormulaC10H26N6
Molecular Weight230.36 g/mol
Exact Mass230.22
IUPAC Namebis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCC1=NCCN1.NCCN.NCCN
InChIInChI=1S/C6H10N2.2C2H8N2/c1-2-3-6-7-4-5-8-6;2*3-1-2-4/h2H,1,3-5H2,(H,7,8);2*1-4H2
InChIKeyWMMBTUNIHXYVKK-UHFFFAOYSA-N
XLogP-1.63
TPSA128.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The IUPAC name of bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole (CID 89311035) is bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole is C=CCC1=NCCN1.NCCN.NCCN.
What is the InChIKey of bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is WMMBTUNIHXYVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C2H8N2/c1-2-3-6-7-4-5-8-6;2*3-1-2-4/h2H,1,3-5H2,(H,7,8);2*1-4H2.
What are the key properties of bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole?
bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole has a molecular weight of 230.36 g/mol, XLogP of -1.63, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 89311035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).