12-(oxan-2-yloxy)dodecan-1-amine

C17H35NO2 — CID 170028710

IUPAC12-(oxan-2-yloxy)dodecan-1-amine
SMILESNCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H35NO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17H,1-16,18H2
InChIKeyQRCSDJUSTLDNDW-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.39
Rot. Bonds13

About 12-(oxan-2-yloxy)dodecan-1-amine

12-(oxan-2-yloxy)dodecan-1-amine (PubChem CID 170028710) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 12-(oxan-2-yloxy)dodecan-1-amine.

Molecular Properties

Compound Name12-(oxan-2-yloxy)dodecan-1-amine
PubChem CID170028710
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name12-(oxan-2-yloxy)dodecan-1-amine
SMILESNCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H35NO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17H,1-16,18H2
InChIKeyQRCSDJUSTLDNDW-UHFFFAOYSA-N
XLogP4.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol
CID 14986683
2-octacosoxyoxane
CID 11214102
2-(12-chlorododecoxy)oxane
CID 14014573
2-(18-iodooctadecoxy)oxane
CID 86124950
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031

Frequently Asked Questions

What is the IUPAC name of 12-(oxan-2-yloxy)dodecan-1-amine?
The IUPAC name of 12-(oxan-2-yloxy)dodecan-1-amine (CID 170028710) is 12-(oxan-2-yloxy)dodecan-1-amine.
What is the SMILES notation for 12-(oxan-2-yloxy)dodecan-1-amine?
The canonical SMILES for 12-(oxan-2-yloxy)dodecan-1-amine is NCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 12-(oxan-2-yloxy)dodecan-1-amine?
The InChIKey is QRCSDJUSTLDNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17H,1-16,18H2.
What are the key properties of 12-(oxan-2-yloxy)dodecan-1-amine?
12-(oxan-2-yloxy)dodecan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 4.39, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(oxan-2-yloxy)dodecan-1-amine is sourced from PubChem (CID 170028710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).