1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine

C18H39NO4 — CID 173191713

IUPAC1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine
SMILESCCCCOC(CC)(NC(CC)(OCC)OCCCC)OCC
InChIInChI=1S/C18H39NO4/c1-7-13-15-22-17(9-3,20-11-5)19-18(10-4,21-12-6)23-16-14-8-2/h19H,7-16H2,1-6H3
InChIKeyHLGFSROFFCECGC-UHFFFAOYSA-N
MW333.51 g/mol
LogP4.41
Rot. Bonds16

About 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine

1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine (PubChem CID 173191713) has the molecular formula C18H39NO4 and a molecular weight of 333.51 g/mol. Its IUPAC name is 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine.

Molecular Properties

Compound Name1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine
PubChem CID173191713
Molecular FormulaC18H39NO4
Molecular Weight333.51 g/mol
Exact Mass333.29
IUPAC Name1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine
SMILESCCCCOC(CC)(NC(CC)(OCC)OCCCC)OCC
InChIInChI=1S/C18H39NO4/c1-7-13-15-22-17(9-3,20-11-5)19-18(10-4,21-12-6)23-16-14-8-2/h19H,7-16H2,1-6H3
InChIKeyHLGFSROFFCECGC-UHFFFAOYSA-N
XLogP4.41
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[butoxy(diethoxy)methyl]silane
CID 3022902
1,1-diethoxy-N-methylpentan-1-amine
CID 174342142
1-butoxypropane-1,1-diamine
CID 87535027
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
2-butoxy-2-ethoxypropanal
CID 15353858
1-(1,1,2,2-tetrabromoethoxy)butane
CID 134894303
3-butoxy-3-ethyloctane
CID 156635634
[bromo(dibutoxy)methyl]-methylsilane
CID 173219154
ethyl 2-butoxy-2-ethyl-3-oxobutanoate
CID 174929475
5,5-dibutoxynonane
CID 89440038
1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
CID 150976644
boranuide;trimethyl(tributoxymethyl)azanium
CID 175509370

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine?
The IUPAC name of 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine (CID 173191713) is 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine.
What is the SMILES notation for 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine?
The canonical SMILES for 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine is CCCCOC(CC)(NC(CC)(OCC)OCCCC)OCC.
What is the InChIKey of 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine?
The InChIKey is HLGFSROFFCECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO4/c1-7-13-15-22-17(9-3,20-11-5)19-18(10-4,21-12-6)23-16-14-8-2/h19H,7-16H2,1-6H3.
What are the key properties of 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine?
1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine has a molecular weight of 333.51 g/mol, XLogP of 4.41, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine is sourced from PubChem (CID 173191713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).