6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol

C14H29NO3 — CID 14986683

IUPAC6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol
SMILESNCCCCC(CO)CCCOC1CCCCO1
InChIInChI=1S/C14H29NO3/c15-9-3-1-6-13(12-16)7-5-11-18-14-8-2-4-10-17-14/h13-14,16H,1-12,15H2
InChIKeyXRRBUFFFJWIQMV-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.05
Rot. Bonds10

About 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol

6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol (PubChem CID 14986683) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol.

Molecular Properties

Compound Name6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol
PubChem CID14986683
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol
SMILESNCCCCC(CO)CCCOC1CCCCO1
InChIInChI=1S/C14H29NO3/c15-9-3-1-6-13(12-16)7-5-11-18-14-8-2-4-10-17-14/h13-14,16H,1-12,15H2
InChIKeyXRRBUFFFJWIQMV-UHFFFAOYSA-N
XLogP2.05
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
(3S)-8-(oxan-2-yloxy)octane-1,3-diol
CID 11831727
2-[4-(oxan-2-yloxy)butyl]propanediamide
CID 67822555
2-(6-methylheptoxy)oxane
CID 139685112
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide
CID 59422079
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
CID 125494842
2-(12-chlorododecoxy)oxane
CID 14014573
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol?
The IUPAC name of 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol (CID 14986683) is 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol.
What is the SMILES notation for 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol?
The canonical SMILES for 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol is NCCCCC(CO)CCCOC1CCCCO1.
What is the InChIKey of 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol?
The InChIKey is XRRBUFFFJWIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c15-9-3-1-6-13(12-16)7-5-11-18-14-8-2-4-10-17-14/h13-14,16H,1-12,15H2.
What are the key properties of 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol?
6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol is sourced from PubChem (CID 14986683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).