1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride

C8H17ClN2 — CID 20565245

IUPAC1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride
SMILESC=CCN(CC=C)C(C)N.Cl
InChIInChI=1S/C8H16N2.ClH/c1-4-6-10(7-5-2)8(3)9;/h4-5,8H,1-2,6-7,9H2,3H3;1H
InChIKeyKBANAFSLUTXBSQ-UHFFFAOYSA-N
MW176.69 g/mol
LogP1.39
Rot. Bonds5

About 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride

1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride (PubChem CID 20565245) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride
PubChem CID20565245
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride
SMILESC=CCN(CC=C)C(C)N.Cl
InChIInChI=1S/C8H16N2.ClH/c1-4-6-10(7-5-2)8(3)9;/h4-5,8H,1-2,6-7,9H2,3H3;1H
InChIKeyKBANAFSLUTXBSQ-UHFFFAOYSA-N
XLogP1.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride?
The IUPAC name of 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride (CID 20565245) is 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride.
What is the SMILES notation for 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride?
The canonical SMILES for 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride is C=CCN(CC=C)C(C)N.Cl.
What is the InChIKey of 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride?
The InChIKey is KBANAFSLUTXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c1-4-6-10(7-5-2)8(3)9;/h4-5,8H,1-2,6-7,9H2,3H3;1H.
What are the key properties of 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride?
1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis(prop-2-enyl)ethane-1,1-diamine;hydrochloride is sourced from PubChem (CID 20565245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).