N-ethyl-1-hexoxyethanamine

C10H23NO — CID 22450267

IUPACN-ethyl-1-hexoxyethanamine
SMILESCCCCCCOC(C)NCC
InChIInChI=1S/C10H23NO/c1-4-6-7-8-9-12-10(3)11-5-2/h10-11H,4-9H2,1-3H3
InChIKeyWLVSMVKFXKAMHO-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.54
Rot. Bonds8

About N-ethyl-1-hexoxyethanamine

N-ethyl-1-hexoxyethanamine (PubChem CID 22450267) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-ethyl-1-hexoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-hexoxyethanamine
PubChem CID22450267
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-ethyl-1-hexoxyethanamine
SMILESCCCCCCOC(C)NCC
InChIInChI=1S/C10H23NO/c1-4-6-7-8-9-12-10(3)11-5-2/h10-11H,4-9H2,1-3H3
InChIKeyWLVSMVKFXKAMHO-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.54
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-decoxy-N-(1-decoxyethyl)ethanamine
CID 173191939
1-decoxy-N-ethylundecan-1-amine
CID 172700916
1-heptacontoxyethanol
CID 169098461
1-(1-fluoroethoxy)tridecane
CID 175410550
1-(difluoromethoxy)decane
CID 14400535
1-hexan-2-yloxydecane
CID 57029724
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1-butoxy-N-methylethanamine;ethane
CID 144998639
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-hexoxyethanamine?
The IUPAC name of N-ethyl-1-hexoxyethanamine (CID 22450267) is N-ethyl-1-hexoxyethanamine.
What is the SMILES notation for N-ethyl-1-hexoxyethanamine?
The canonical SMILES for N-ethyl-1-hexoxyethanamine is CCCCCCOC(C)NCC.
What is the InChIKey of N-ethyl-1-hexoxyethanamine?
The InChIKey is WLVSMVKFXKAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-6-7-8-9-12-10(3)11-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-hexoxyethanamine?
N-ethyl-1-hexoxyethanamine has a molecular weight of 173.30 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-hexoxyethanamine is sourced from PubChem (CID 22450267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).