N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine

C11H25NO — CID 155454944

IUPACN-(2,5-dimethylhexan-2-yloxymethyl)ethanamine
SMILESCCNCOC(C)(C)CCC(C)C
InChIInChI=1S/C11H25NO/c1-6-12-9-13-11(4,5)8-7-10(2)3/h10,12H,6-9H2,1-5H3
InChIKeyOQDKHEMQLMKCII-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.78
Rot. Bonds7

About N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine

N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine (PubChem CID 155454944) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine.

Molecular Properties

Compound NameN-(2,5-dimethylhexan-2-yloxymethyl)ethanamine
PubChem CID155454944
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(2,5-dimethylhexan-2-yloxymethyl)ethanamine
SMILESCCNCOC(C)(C)CCC(C)C
InChIInChI=1S/C11H25NO/c1-6-12-9-13-11(4,5)8-7-10(2)3/h10,12H,6-9H2,1-5H3
InChIKeyOQDKHEMQLMKCII-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylhexan-2-yloxy)propan-2-ol
CID 142712433
2,5-dimethylhexan-2-yl formate
CID 58262638
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
N-(heptatriacontan-19-yloxymethyl)-4-methyl-4-(3-methylbutoxy)pentan-1-amine
CID 123724415
N-ethyl-2-methyl-2-(2-methylpropoxy)butan-1-amine
CID 62355640
N-(propan-2-yloxymethyl)ethanamine
CID 58821109
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol
CID 146553974
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine?
The IUPAC name of N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine (CID 155454944) is N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine.
What is the SMILES notation for N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine?
The canonical SMILES for N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine is CCNCOC(C)(C)CCC(C)C.
What is the InChIKey of N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine?
The InChIKey is OQDKHEMQLMKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-12-9-13-11(4,5)8-7-10(2)3/h10,12H,6-9H2,1-5H3.
What are the key properties of N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine?
N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine has a molecular weight of 187.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylhexan-2-yloxymethyl)ethanamine is sourced from PubChem (CID 155454944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).