6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine

C11H26N2O2 — CID 87252227

IUPAC6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
SMILESNCCCCCCOCCOCCCN
InChIInChI=1S/C11H26N2O2/c12-6-3-1-2-4-8-14-10-11-15-9-5-7-13/h1-13H2
InChIKeyAEKACBABVHQTNJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.89
Rot. Bonds12

About 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine

6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine (PubChem CID 87252227) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine.

Molecular Properties

Compound Name6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
PubChem CID87252227
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
SMILESNCCCCCCOCCOCCCN
InChIInChI=1S/C11H26N2O2/c12-6-3-1-2-4-8-14-10-11-15-9-5-7-13/h1-13H2
InChIKeyAEKACBABVHQTNJ-UHFFFAOYSA-N
XLogP0.89
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.89
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

4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
4-nonoxybutan-1-amine
CID 139664551
2-(5-aminopentoxy)ethylazanium
CID 171066071

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine?
The IUPAC name of 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine (CID 87252227) is 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine.
What is the SMILES notation for 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine?
The canonical SMILES for 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine is NCCCCCCOCCOCCCN.
What is the InChIKey of 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine?
The InChIKey is AEKACBABVHQTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c12-6-3-1-2-4-8-14-10-11-15-9-5-7-13/h1-13H2.
What are the key properties of 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine?
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 0.89, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine is sourced from PubChem (CID 87252227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).