N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride

C9H20Cl2N2 — CID 87465680

IUPACN,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride
SMILESC=CCNCCCNCC=C.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-3-6-10-8-5-9-11-7-4-2;;/h3-4,10-11H,1-2,5-9H2;2*1H
InChIKeyFIOHNBDWNRXDFA-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.77
Rot. Bonds8

About N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride

N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride (PubChem CID 87465680) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride
PubChem CID87465680
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC NameN,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride
SMILESC=CCNCCCNCC=C.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-3-6-10-8-5-9-11-7-4-2;;/h3-4,10-11H,1-2,5-9H2;2*1H
InChIKeyFIOHNBDWNRXDFA-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride?
The IUPAC name of N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride (CID 87465680) is N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride is C=CCNCCCNCC=C.Cl.Cl.
What is the InChIKey of N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride?
The InChIKey is FIOHNBDWNRXDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-3-6-10-8-5-9-11-7-4-2;;/h3-4,10-11H,1-2,5-9H2;2*1H.
What are the key properties of N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride?
N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 87465680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).