N-(ethoxymethyl)-N,2-dimethylhexan-1-amine

C11H25NO — CID 167205147

IUPACN-(ethoxymethyl)-N,2-dimethylhexan-1-amine
SMILESCCCCC(C)CN(C)COCC
InChIInChI=1S/C11H25NO/c1-5-7-8-11(3)9-12(4)10-13-6-2/h11H,5-10H2,1-4H3
InChIKeyVLIKKQAXKGKDPY-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.74
Rot. Bonds8

About N-(ethoxymethyl)-N,2-dimethylhexan-1-amine

N-(ethoxymethyl)-N,2-dimethylhexan-1-amine (PubChem CID 167205147) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(ethoxymethyl)-N,2-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-(ethoxymethyl)-N,2-dimethylhexan-1-amine
PubChem CID167205147
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(ethoxymethyl)-N,2-dimethylhexan-1-amine
SMILESCCCCC(C)CN(C)COCC
InChIInChI=1S/C11H25NO/c1-5-7-8-11(3)9-12(4)10-13-6-2/h11H,5-10H2,1-4H3
InChIKeyVLIKKQAXKGKDPY-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(ethoxymethyl)-N,2-dimethylhexan-1-amine?
The IUPAC name of N-(ethoxymethyl)-N,2-dimethylhexan-1-amine (CID 167205147) is N-(ethoxymethyl)-N,2-dimethylhexan-1-amine.
What is the SMILES notation for N-(ethoxymethyl)-N,2-dimethylhexan-1-amine?
The canonical SMILES for N-(ethoxymethyl)-N,2-dimethylhexan-1-amine is CCCCC(C)CN(C)COCC.
What is the InChIKey of N-(ethoxymethyl)-N,2-dimethylhexan-1-amine?
The InChIKey is VLIKKQAXKGKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-7-8-11(3)9-12(4)10-13-6-2/h11H,5-10H2,1-4H3.
What are the key properties of N-(ethoxymethyl)-N,2-dimethylhexan-1-amine?
N-(ethoxymethyl)-N,2-dimethylhexan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-N,2-dimethylhexan-1-amine is sourced from PubChem (CID 167205147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).