N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine

C12H27NO2 — CID 63619021

IUPACN-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine
SMILESCCOC(CN(C)CCC(C)C)OCC
InChIInChI=1S/C12H27NO2/c1-6-14-12(15-7-2)10-13(5)9-8-11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyWVQLWCTXWUSYGH-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.36
Rot. Bonds9

About N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine

N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine (PubChem CID 63619021) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine
PubChem CID63619021
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine
SMILESCCOC(CN(C)CCC(C)C)OCC
InChIInChI=1S/C12H27NO2/c1-6-14-12(15-7-2)10-13(5)9-8-11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyWVQLWCTXWUSYGH-UHFFFAOYSA-N
XLogP2.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2,2-diethoxyethyl(methyl)amino]propanenitrile
CID 63617666
N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63618860
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
CID 63618857
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N-(cyclopropylmethyl)-2,2-diethoxy-N-methylethanamine
CID 63618697
N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
CID 63627903
N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
CID 63628424
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
3-[3,3-diethoxypropyl(methyl)amino]propanenitrile
CID 63628600
1-(1-ethoxypropoxy)-3-methylbutane
CID 53422435
2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide
CID 63619039

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine (CID 63619021) is N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine is CCOC(CN(C)CCC(C)C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine?
The InChIKey is WVQLWCTXWUSYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-14-12(15-7-2)10-13(5)9-8-11(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine?
N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 63619021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).