N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine

C14H30N2O2 — CID 154950733

IUPACN-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine
SMILESC=C(C)CCOCCNCCOCCNCCC
InChIInChI=1S/C14H30N2O2/c1-4-6-15-7-12-18-13-9-16-8-11-17-10-5-14(2)3/h15-16H,2,4-13H2,1,3H3
InChIKeyBSEPXYNEWOZNQK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.58
Rot. Bonds14

About N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine

N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine (PubChem CID 154950733) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine
PubChem CID154950733
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine
SMILESC=C(C)CCOCCNCCOCCNCCC
InChIInChI=1S/C14H30N2O2/c1-4-6-15-7-12-18-13-9-16-8-11-17-10-5-14(2)3/h15-16H,2,4-13H2,1,3H3
InChIKeyBSEPXYNEWOZNQK-UHFFFAOYSA-N
XLogP1.58
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine (CID 154950733) is N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine is C=C(C)CCOCCNCCOCCNCCC.
What is the InChIKey of N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine?
The InChIKey is BSEPXYNEWOZNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-6-15-7-12-18-13-9-16-8-11-17-10-5-14(2)3/h15-16H,2,4-13H2,1,3H3.
What are the key properties of N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine?
N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.58, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 154950733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).