N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine

C15H31NO3 — CID 176704927

IUPACN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine
SMILESC=C(CCCC)NCCOCCOCCOCCC
InChIInChI=1S/C15H31NO3/c1-4-6-7-15(3)16-8-10-18-12-14-19-13-11-17-9-5-2/h16H,3-14H2,1-2H3
InChIKeyGYDIAZQDUDVFKB-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.74
Rot. Bonds15

About N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine

N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine (PubChem CID 176704927) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine
PubChem CID176704927
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine
SMILESC=C(CCCC)NCCOCCOCCOCCC
InChIInChI=1S/C15H31NO3/c1-4-6-7-15(3)16-8-10-18-12-14-19-13-11-17-9-5-2/h16H,3-14H2,1-2H3
InChIKeyGYDIAZQDUDVFKB-UHFFFAOYSA-N
XLogP2.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine?
The IUPAC name of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine (CID 176704927) is N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine.
What is the SMILES notation for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine?
The canonical SMILES for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine is C=C(CCCC)NCCOCCOCCOCCC.
What is the InChIKey of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine?
The InChIKey is GYDIAZQDUDVFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-4-6-7-15(3)16-8-10-18-12-14-19-13-11-17-9-5-2/h16H,3-14H2,1-2H3.
What are the key properties of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine?
N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine has a molecular weight of 273.42 g/mol, XLogP of 2.74, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]hex-1-en-2-amine is sourced from PubChem (CID 176704927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).