N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine

C14H28N2O — CID 141017867

IUPACN-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine
SMILESC=C(CCCNCC)OC(=C)CCCNCC
InChIInChI=1S/C14H28N2O/c1-5-15-11-7-9-13(3)17-14(4)10-8-12-16-6-2/h15-16H,3-12H2,1-2H3
InChIKeyBMUPCRNGYDTZJH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.81
Rot. Bonds12

About N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine

N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine (PubChem CID 141017867) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine
PubChem CID141017867
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine
SMILESC=C(CCCNCC)OC(=C)CCCNCC
InChIInChI=1S/C14H28N2O/c1-5-15-11-7-9-13(3)17-14(4)10-8-12-16-6-2/h15-16H,3-12H2,1-2H3
InChIKeyBMUPCRNGYDTZJH-UHFFFAOYSA-N
XLogP2.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine (CID 141017867) is N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine is C=C(CCCNCC)OC(=C)CCCNCC.
What is the InChIKey of N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine?
The InChIKey is BMUPCRNGYDTZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-15-11-7-9-13(3)17-14(4)10-8-12-16-6-2/h15-16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine?
N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.81, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine is sourced from PubChem (CID 141017867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).