(Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine

C14H29ClN2O4 — CID 134395643

IUPAC(Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine
SMILESC/C=C(/CCl)NCCOCCOCCOCCOCCN
InChIInChI=1S/C14H29ClN2O4/c1-2-14(13-15)17-4-6-19-8-10-21-12-11-20-9-7-18-5-3-16/h2,17H,3-13,16H2,1H3/b14-2-
InChIKeySRMRADMDWFZSIS-VVHNFQOZSA-N
MW324.85 g/mol
LogP0.74
Rot. Bonds16

About (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine

(Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine (PubChem CID 134395643) has the molecular formula C14H29ClN2O4 and a molecular weight of 324.85 g/mol. Its IUPAC name is (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine
PubChem CID134395643
Molecular FormulaC14H29ClN2O4
Molecular Weight324.85 g/mol
Exact Mass324.18
IUPAC Name(Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine
SMILESC/C=C(/CCl)NCCOCCOCCOCCOCCN
InChIInChI=1S/C14H29ClN2O4/c1-2-14(13-15)17-4-6-19-8-10-21-12-11-20-9-7-18-5-3-16/h2,17H,3-13,16H2,1H3/b14-2-
InChIKeySRMRADMDWFZSIS-VVHNFQOZSA-N
XLogP0.74
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine?
The IUPAC name of (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine (CID 134395643) is (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine.
What is the SMILES notation for (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine?
The canonical SMILES for (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine is C/C=C(/CCl)NCCOCCOCCOCCOCCN.
What is the InChIKey of (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine?
The InChIKey is SRMRADMDWFZSIS-VVHNFQOZSA-N. The full InChI is InChI=1S/C14H29ClN2O4/c1-2-14(13-15)17-4-6-19-8-10-21-12-11-20-9-7-18-5-3-16/h2,17H,3-13,16H2,1H3/b14-2-.
What are the key properties of (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine?
(Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine has a molecular weight of 324.85 g/mol, XLogP of 0.74, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine is sourced from PubChem (CID 134395643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).