1,1-diethoxy-6-methylheptan-2-amine

C12H27NO2 — CID 83160850

IUPAC1,1-diethoxy-6-methylheptan-2-amine
SMILESCCOC(OCC)C(N)CCCC(C)C
InChIInChI=1S/C12H27NO2/c1-5-14-12(15-6-2)11(13)9-7-8-10(3)4/h10-12H,5-9,13H2,1-4H3
InChIKeyCEBSVAUAQXOABB-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.54
Rot. Bonds9

About 1,1-diethoxy-6-methylheptan-2-amine

1,1-diethoxy-6-methylheptan-2-amine (PubChem CID 83160850) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1,1-diethoxy-6-methylheptan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-6-methylheptan-2-amine
PubChem CID83160850
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1,1-diethoxy-6-methylheptan-2-amine
SMILESCCOC(OCC)C(N)CCCC(C)C
InChIInChI=1S/C12H27NO2/c1-5-14-12(15-6-2)11(13)9-7-8-10(3)4/h10-12H,5-9,13H2,1-4H3
InChIKeyCEBSVAUAQXOABB-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
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

1,1-diethoxy-4-silylbutan-2-amine
CID 174746425
1-ethoxy-6-methylheptan-2-amine
CID 83162335
(3-ethoxy-8-methylnonan-4-yl)hydrazine
CID 105271233
2-(4-methylpentoxy)pentan-3-amine
CID 43127709
(2S)-3-ethoxybutan-2-amine
CID 64712582
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
6-methyl-1-propan-2-yloxyheptan-2-amine
CID 105177020
(2R,3R)-1,1,3-triethoxy-2-methylbutane
CID 129365387
ethyl 3-amino-7-methyloctanoate;hydrochloride
CID 155858971
ethyl 2-acetyl-8-methylnonanoate
CID 18370281
2,34-dimethylpentatriacontan-18-amine
CID 141007495
1,3-diethoxybutan-2-amine
CID 79574517

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-6-methylheptan-2-amine?
The IUPAC name of 1,1-diethoxy-6-methylheptan-2-amine (CID 83160850) is 1,1-diethoxy-6-methylheptan-2-amine.
What is the SMILES notation for 1,1-diethoxy-6-methylheptan-2-amine?
The canonical SMILES for 1,1-diethoxy-6-methylheptan-2-amine is CCOC(OCC)C(N)CCCC(C)C.
What is the InChIKey of 1,1-diethoxy-6-methylheptan-2-amine?
The InChIKey is CEBSVAUAQXOABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-14-12(15-6-2)11(13)9-7-8-10(3)4/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 1,1-diethoxy-6-methylheptan-2-amine?
1,1-diethoxy-6-methylheptan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-6-methylheptan-2-amine is sourced from PubChem (CID 83160850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).