N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine

C11H25NO2 — CID 79492342

IUPACN-ethyl-1,1-dimethoxy-4-methylhexan-2-amine
SMILESCCNC(CC(C)CC)C(OC)OC
InChIInChI=1S/C11H25NO2/c1-6-9(3)8-10(12-7-2)11(13-4)14-5/h9-12H,6-8H2,1-5H3
InChIKeyYMHBNDXAALZPBX-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.02
Rot. Bonds8

About N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine

N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine (PubChem CID 79492342) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-dimethoxy-4-methylhexan-2-amine
PubChem CID79492342
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-ethyl-1,1-dimethoxy-4-methylhexan-2-amine
SMILESCCNC(CC(C)CC)C(OC)OC
InChIInChI=1S/C11H25NO2/c1-6-9(3)8-10(12-7-2)11(13-4)14-5/h9-12H,6-8H2,1-5H3
InChIKeyYMHBNDXAALZPBX-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.02
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

N,4-diethyl-1,1-dimethoxyhexan-2-amine
CID 82923358
N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606
N-ethyl-5-methoxy-2-methylheptan-4-amine
CID 116715625
N,5-diethyl-7-methylnonan-4-amine
CID 83051953
N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
CID 115846349
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
N,6-diethyl-3-methoxyoctan-4-amine
CID 116715848
N,3-diethyl-7-methylnonan-5-amine
CID 105028147
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
3,5-dimethylheptane;ethane
CID 172617343
1-methoxy-N,3,6-trimethyloctan-4-amine
CID 105044439

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine?
The IUPAC name of N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine (CID 79492342) is N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine?
The canonical SMILES for N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine is CCNC(CC(C)CC)C(OC)OC.
What is the InChIKey of N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine?
The InChIKey is YMHBNDXAALZPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-9(3)8-10(12-7-2)11(13-4)14-5/h9-12H,6-8H2,1-5H3.
What are the key properties of N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine?
N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dimethoxy-4-methylhexan-2-amine is sourced from PubChem (CID 79492342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).