N,4-diethyl-1,1-dimethoxyhexan-2-amine

C12H27NO2 — CID 82923358

IUPACN,4-diethyl-1,1-dimethoxyhexan-2-amine
SMILESCCNC(CC(CC)CC)C(OC)OC
InChIInChI=1S/C12H27NO2/c1-6-10(7-2)9-11(13-8-3)12(14-4)15-5/h10-13H,6-9H2,1-5H3
InChIKeyJJWJGLZMHPHECF-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.41
Rot. Bonds9

About N,4-diethyl-1,1-dimethoxyhexan-2-amine

N,4-diethyl-1,1-dimethoxyhexan-2-amine (PubChem CID 82923358) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N,4-diethyl-1,1-dimethoxyhexan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1,1-dimethoxyhexan-2-amine
PubChem CID82923358
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN,4-diethyl-1,1-dimethoxyhexan-2-amine
SMILESCCNC(CC(CC)CC)C(OC)OC
InChIInChI=1S/C12H27NO2/c1-6-10(7-2)9-11(13-8-3)12(14-4)15-5/h10-13H,6-9H2,1-5H3
InChIKeyJJWJGLZMHPHECF-UHFFFAOYSA-N
XLogP2.41
TPSA30.49 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 ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1,1-dimethoxyhexan-2-amine?
The IUPAC name of N,4-diethyl-1,1-dimethoxyhexan-2-amine (CID 82923358) is N,4-diethyl-1,1-dimethoxyhexan-2-amine.
What is the SMILES notation for N,4-diethyl-1,1-dimethoxyhexan-2-amine?
The canonical SMILES for N,4-diethyl-1,1-dimethoxyhexan-2-amine is CCNC(CC(CC)CC)C(OC)OC.
What is the InChIKey of N,4-diethyl-1,1-dimethoxyhexan-2-amine?
The InChIKey is JJWJGLZMHPHECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-10(7-2)9-11(13-8-3)12(14-4)15-5/h10-13H,6-9H2,1-5H3.
What are the key properties of N,4-diethyl-1,1-dimethoxyhexan-2-amine?
N,4-diethyl-1,1-dimethoxyhexan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1,1-dimethoxyhexan-2-amine is sourced from PubChem (CID 82923358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).