N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine

C11H25NO3 — CID 79547510

IUPACN-(2,2-diethoxyethyl)-4-methoxybutan-2-amine
SMILESCCOC(CNC(C)CCOC)OCC
InChIInChI=1S/C11H25NO3/c1-5-14-11(15-6-2)9-12-10(3)7-8-13-4/h10-12H,5-9H2,1-4H3
InChIKeySXXXZLKHRAPPJB-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.40
Rot. Bonds10

About N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine

N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine (PubChem CID 79547510) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-4-methoxybutan-2-amine
PubChem CID79547510
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC NameN-(2,2-diethoxyethyl)-4-methoxybutan-2-amine
SMILESCCOC(CNC(C)CCOC)OCC
InChIInChI=1S/C11H25NO3/c1-5-14-11(15-6-2)9-12-10(3)7-8-13-4/h10-12H,5-9H2,1-4H3
InChIKeySXXXZLKHRAPPJB-UHFFFAOYSA-N
XLogP1.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine
CID 115688418
N-(2,2-diethoxyethyl)-4-methylhexan-2-amine
CID 81094934
2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 106286279
1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 64603432
N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine
CID 97048981
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
N-(2,2-diphenylethyl)-4-methoxybutan-2-amine
CID 103746904
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
3-ethoxy-1,5-dimethoxypentane
CID 20810650

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine (CID 79547510) is N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine is CCOC(CNC(C)CCOC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine?
The InChIKey is SXXXZLKHRAPPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-5-14-11(15-6-2)9-12-10(3)7-8-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine?
N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine has a molecular weight of 219.32 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 79547510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).