6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine

C23H46N2O6 — CID 163957806

IUPAC6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine
SMILESCCC1(OCCCCCCN)OCC2(CO1)COC(CC)(OCCCCCCN)OC2
InChIInChI=1S/C23H46N2O6/c1-3-22(26-15-11-7-5-9-13-24)28-17-21(18-29-22)19-30-23(4-2,31-20-21)27-16-12-8-6-10-14-25/h3-20,24-25H2,1-2H3
InChIKeySEXRLCFTUHLGFA-UHFFFAOYSA-N
MW446.63 g/mol
LogP3.27
Rot. Bonds16

About 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine

6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine (PubChem CID 163957806) has the molecular formula C23H46N2O6 and a molecular weight of 446.63 g/mol. Its IUPAC name is 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine.

Molecular Properties

Compound Name6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine
PubChem CID163957806
Molecular FormulaC23H46N2O6
Molecular Weight446.63 g/mol
Exact Mass446.34
IUPAC Name6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine
SMILESCCC1(OCCCCCCN)OCC2(CO1)COC(CC)(OCCCCCCN)OC2
InChIInChI=1S/C23H46N2O6/c1-3-22(26-15-11-7-5-9-13-24)28-17-21(18-29-22)19-30-23(4-2,31-20-21)27-16-12-8-6-10-14-25/h3-20,24-25H2,1-2H3
InChIKeySEXRLCFTUHLGFA-UHFFFAOYSA-N
XLogP3.27
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine with MolForge

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Related Compounds

(2R)-3-[12-[[3-[12-[(2R)-3-amino-2-(3,7,11,15-tetramethylhexadecoxy)propoxy]dodecoxy]-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]dodecoxy]-2-(3,7,11,15-tetramethylhexadecoxy)propan-1-amine
CID 132540830
4-nonoxybutan-1-amine
CID 139664551
6-trimethylsilyloxyhexan-1-amine
CID 529165
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
2-decoxy-2-tridecyl-1,3-dioxan-5-one
CID 68854407
methane;7-methoxyheptan-1-amine
CID 160693233
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
3-[2-(2,2,3,5,5-pentamethylhexan-3-yl)oxiran-2-yl]oxypropan-1-amine
CID 145419014
7-(6-aminohexoxy)heptan-2-one
CID 146201806
hexane-1,6-diamine;methanamine
CID 174275715
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
O-(13-aminotridecyl)hydroxylamine
CID 174386502

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine?
The IUPAC name of 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine (CID 163957806) is 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine.
What is the SMILES notation for 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine?
The canonical SMILES for 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine is CCC1(OCCCCCCN)OCC2(CO1)COC(CC)(OCCCCCCN)OC2.
What is the InChIKey of 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine?
The InChIKey is SEXRLCFTUHLGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O6/c1-3-22(26-15-11-7-5-9-13-24)28-17-21(18-29-22)19-30-23(4-2,31-20-21)27-16-12-8-6-10-14-25/h3-20,24-25H2,1-2H3.
What are the key properties of 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine?
6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine has a molecular weight of 446.63 g/mol, XLogP of 3.27, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine is sourced from PubChem (CID 163957806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).