4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane

C12H28N2O — CID 143826307

IUPAC4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane
SMILESC=C(CCCN)NCCOCC.CCC
InChIInChI=1S/C9H20N2O.C3H8/c1-3-12-8-7-11-9(2)5-4-6-10;1-3-2/h11H,2-8,10H2,1H3;3H2,1-2H3
InChIKeySLBQEGKXJFPGPV-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.28
Rot. Bonds8

About 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane

4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane (PubChem CID 143826307) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane
PubChem CID143826307
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane
SMILESC=C(CCCN)NCCOCC.CCC
InChIInChI=1S/C9H20N2O.C3H8/c1-3-12-8-7-11-9(2)5-4-6-10;1-3-2/h11H,2-8,10H2,1H3;3H2,1-2H3
InChIKeySLBQEGKXJFPGPV-UHFFFAOYSA-N
XLogP2.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane?
The IUPAC name of 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane (CID 143826307) is 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane.
What is the SMILES notation for 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane?
The canonical SMILES for 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane is C=C(CCCN)NCCOCC.CCC.
What is the InChIKey of 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane?
The InChIKey is SLBQEGKXJFPGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C3H8/c1-3-12-8-7-11-9(2)5-4-6-10;1-3-2/h11H,2-8,10H2,1H3;3H2,1-2H3.
What are the key properties of 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane?
4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane has a molecular weight of 216.37 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane is sourced from PubChem (CID 143826307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).