3-[3-(3-aminopropoxy)pentoxy]propan-1-amine

C11H26N2O2 — CID 57073090

IUPAC3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
SMILESCCC(CCOCCCN)OCCCN
InChIInChI=1S/C11H26N2O2/c1-2-11(15-9-4-7-13)5-10-14-8-3-6-12/h11H,2-10,12-13H2,1H3
InChIKeyWJIGXXOMWSCYPU-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.89
Rot. Bonds11

About 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine

3-[3-(3-aminopropoxy)pentoxy]propan-1-amine (PubChem CID 57073090) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
PubChem CID57073090
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
SMILESCCC(CCOCCCN)OCCCN
InChIInChI=1S/C11H26N2O2/c1-2-11(15-9-4-7-13)5-10-14-8-3-6-12/h11H,2-10,12-13H2,1H3
InChIKeyWJIGXXOMWSCYPU-UHFFFAOYSA-N
XLogP0.89
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
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

1-[4-(3-aminopropoxy)butoxy]propan-1-amine
CID 22758954
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
1-(4-octoxyhexoxy)nonane
CID 173430678
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
3-[2-[2-[2-(3-aminopropoxy)ethoxy]-3-[2,3-bis[2-(3-aminopropoxy)ethoxy]propoxy]propoxy]ethoxy]propan-1-amine
CID 59459957
4-ethoxyhexan-1-amine
CID 21432824
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
3-(2-methoxyethoxy)pentan-1-amine
CID 43428406
3-(3,6,8-trimethyldecoxy)propan-1-amine
CID 146184541
1,3-didecoxyundecane
CID 142711236

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine?
The IUPAC name of 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine (CID 57073090) is 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine.
What is the SMILES notation for 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine?
The canonical SMILES for 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine is CCC(CCOCCCN)OCCCN.
What is the InChIKey of 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine?
The InChIKey is WJIGXXOMWSCYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-2-11(15-9-4-7-13)5-10-14-8-3-6-12/h11H,2-10,12-13H2,1H3.
What are the key properties of 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine?
3-[3-(3-aminopropoxy)pentoxy]propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 0.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropoxy)pentoxy]propan-1-amine is sourced from PubChem (CID 57073090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).