N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine

C15H32ClNO4 — CID 106306173

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
SMILESCCCCOCCOCCOCCNCCCOCCCl
InChIInChI=1S/C15H32ClNO4/c1-2-3-8-19-12-14-21-15-13-20-11-7-17-6-4-9-18-10-5-16/h17H,2-15H2,1H3
InChIKeyGJWCFGXPIKDLFJ-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.07
Rot. Bonds18

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine (PubChem CID 106306173) has the molecular formula C15H32ClNO4 and a molecular weight of 325.88 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
PubChem CID106306173
Molecular FormulaC15H32ClNO4
Molecular Weight325.88 g/mol
Exact Mass325.20
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
SMILESCCCCOCCOCCOCCNCCCOCCCl
InChIInChI=1S/C15H32ClNO4/c1-2-3-8-19-12-14-21-15-13-20-11-7-17-6-4-9-18-10-5-16/h17H,2-15H2,1H3
InChIKeyGJWCFGXPIKDLFJ-UHFFFAOYSA-N
XLogP2.07
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloroethoxy)propyl]pentan-1-amine
CID 106306037
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
3-(2-chloroethoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 106306021
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
CID 107320355
N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
CID 104649724
N-[2-(2-chloroethoxy)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65097514
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140
3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 106306287

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine (CID 106306173) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine is CCCCOCCOCCOCCNCCCOCCCl.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine?
The InChIKey is GJWCFGXPIKDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32ClNO4/c1-2-3-8-19-12-14-21-15-13-20-11-7-17-6-4-9-18-10-5-16/h17H,2-15H2,1H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine has a molecular weight of 325.88 g/mol, XLogP of 2.07, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine is sourced from PubChem (CID 106306173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).