3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine

C18H40N2O3 — CID 135235596

IUPAC3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
SMILESCCCCOCCOCCOCC(CCN(C)C)CCN(C)C
InChIInChI=1S/C18H40N2O3/c1-6-7-12-21-13-14-22-15-16-23-17-18(8-10-19(2)3)9-11-20(4)5/h18H,6-17H2,1-5H3
InChIKeyQAHOLDGHWFSTHS-UHFFFAOYSA-N
MW332.53 g/mol
LogP2.36
Rot. Bonds17

About 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine

3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine (PubChem CID 135235596) has the molecular formula C18H40N2O3 and a molecular weight of 332.53 g/mol. Its IUPAC name is 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine.

Molecular Properties

Compound Name3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
PubChem CID135235596
Molecular FormulaC18H40N2O3
Molecular Weight332.53 g/mol
Exact Mass332.30
IUPAC Name3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
SMILESCCCCOCCOCCOCC(CCN(C)C)CCN(C)C
InChIInChI=1S/C18H40N2O3/c1-6-7-12-21-13-14-22-15-16-23-17-18(8-10-19(2)3)9-11-20(4)5/h18H,6-17H2,1-5H3
InChIKeyQAHOLDGHWFSTHS-UHFFFAOYSA-N
XLogP2.36
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine?
The IUPAC name of 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine (CID 135235596) is 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine.
What is the SMILES notation for 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine?
The canonical SMILES for 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine is CCCCOCCOCCOCC(CCN(C)C)CCN(C)C.
What is the InChIKey of 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine?
The InChIKey is QAHOLDGHWFSTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O3/c1-6-7-12-21-13-14-22-15-16-23-17-18(8-10-19(2)3)9-11-20(4)5/h18H,6-17H2,1-5H3.
What are the key properties of 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine?
3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine has a molecular weight of 332.53 g/mol, XLogP of 2.36, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine is sourced from PubChem (CID 135235596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).