6-(2-ethylhexoxy)hexan-3-amine

C14H31NO — CID 106800840

IUPAC6-(2-ethylhexoxy)hexan-3-amine
SMILESCCCCC(CC)COCCCC(N)CC
InChIInChI=1S/C14H31NO/c1-4-7-9-13(5-2)12-16-11-8-10-14(15)6-3/h13-14H,4-12,15H2,1-3H3
InChIKeyBQBWFTZRCIMEAD-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.74
Rot. Bonds11

About 6-(2-ethylhexoxy)hexan-3-amine

6-(2-ethylhexoxy)hexan-3-amine (PubChem CID 106800840) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 6-(2-ethylhexoxy)hexan-3-amine.

Molecular Properties

Compound Name6-(2-ethylhexoxy)hexan-3-amine
PubChem CID106800840
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name6-(2-ethylhexoxy)hexan-3-amine
SMILESCCCCC(CC)COCCCC(N)CC
InChIInChI=1S/C14H31NO/c1-4-7-9-13(5-2)12-16-11-8-10-14(15)6-3/h13-14H,4-12,15H2,1-3H3
InChIKeyBQBWFTZRCIMEAD-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(2-ethylhexoxy)octan-1-amine
CID 87537137
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916
6-(2-methylpropoxy)hexan-3-amine
CID 106454406
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
tris[3-(2-ethylhexoxy)propyl]azanium
CID 173204281
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
7-(2-aminobutoxy)heptan-3-amine
CID 174656192
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexoxy)hexan-3-amine?
The IUPAC name of 6-(2-ethylhexoxy)hexan-3-amine (CID 106800840) is 6-(2-ethylhexoxy)hexan-3-amine.
What is the SMILES notation for 6-(2-ethylhexoxy)hexan-3-amine?
The canonical SMILES for 6-(2-ethylhexoxy)hexan-3-amine is CCCCC(CC)COCCCC(N)CC.
What is the InChIKey of 6-(2-ethylhexoxy)hexan-3-amine?
The InChIKey is BQBWFTZRCIMEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-7-9-13(5-2)12-16-11-8-10-14(15)6-3/h13-14H,4-12,15H2,1-3H3.
What are the key properties of 6-(2-ethylhexoxy)hexan-3-amine?
6-(2-ethylhexoxy)hexan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexoxy)hexan-3-amine is sourced from PubChem (CID 106800840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).