N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine

C17H37NO — CID 91471623

IUPACN,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine
SMILESCCCCC(CC)C(OC)N(CC)C(C)CCCC
InChIInChI=1S/C17H37NO/c1-7-11-13-15(5)18(10-4)17(19-6)16(9-3)14-12-8-2/h15-17H,7-14H2,1-6H3
InChIKeyUQJKIOMORSKEMK-UHFFFAOYSA-N
MW271.49 g/mol
LogP5.08
Rot. Bonds12

About N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine

N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine (PubChem CID 91471623) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine
PubChem CID91471623
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC NameN,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine
SMILESCCCCC(CC)C(OC)N(CC)C(C)CCCC
InChIInChI=1S/C17H37NO/c1-7-11-13-15(5)18(10-4)17(19-6)16(9-3)14-12-8-2/h15-17H,7-14H2,1-6H3
InChIKeyUQJKIOMORSKEMK-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.49
LogP ≤ 55.08
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,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine?
The IUPAC name of N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine (CID 91471623) is N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine.
What is the SMILES notation for N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine?
The canonical SMILES for N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine is CCCCC(CC)C(OC)N(CC)C(C)CCCC.
What is the InChIKey of N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine?
The InChIKey is UQJKIOMORSKEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-7-11-13-15(5)18(10-4)17(19-6)16(9-3)14-12-8-2/h15-17H,7-14H2,1-6H3.
What are the key properties of N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine?
N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 5.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine is sourced from PubChem (CID 91471623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).