1-[3-(3-aminopropoxy)propoxy]propan-2-amine

C9H22N2O2 — CID 138696383

IUPAC1-[3-(3-aminopropoxy)propoxy]propan-2-amine
SMILESCC(N)COCCCOCCCN
InChIInChI=1S/C9H22N2O2/c1-9(11)8-13-7-3-6-12-5-2-4-10/h9H,2-8,10-11H2,1H3
InChIKeyWHBRHCDAYSOPLP-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.11
Rot. Bonds9

About 1-[3-(3-aminopropoxy)propoxy]propan-2-amine

1-[3-(3-aminopropoxy)propoxy]propan-2-amine (PubChem CID 138696383) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[3-(3-aminopropoxy)propoxy]propan-2-amine.

Molecular Properties

Compound Name1-[3-(3-aminopropoxy)propoxy]propan-2-amine
PubChem CID138696383
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-[3-(3-aminopropoxy)propoxy]propan-2-amine
SMILESCC(N)COCCCOCCCN
InChIInChI=1S/C9H22N2O2/c1-9(11)8-13-7-3-6-12-5-2-4-10/h9H,2-8,10-11H2,1H3
InChIKeyWHBRHCDAYSOPLP-UHFFFAOYSA-N
XLogP0.11
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.11
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

(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
CID 159274573
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopropoxy)propoxy]propan-2-amine?
The IUPAC name of 1-[3-(3-aminopropoxy)propoxy]propan-2-amine (CID 138696383) is 1-[3-(3-aminopropoxy)propoxy]propan-2-amine.
What is the SMILES notation for 1-[3-(3-aminopropoxy)propoxy]propan-2-amine?
The canonical SMILES for 1-[3-(3-aminopropoxy)propoxy]propan-2-amine is CC(N)COCCCOCCCN.
What is the InChIKey of 1-[3-(3-aminopropoxy)propoxy]propan-2-amine?
The InChIKey is WHBRHCDAYSOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-9(11)8-13-7-3-6-12-5-2-4-10/h9H,2-8,10-11H2,1H3.
What are the key properties of 1-[3-(3-aminopropoxy)propoxy]propan-2-amine?
1-[3-(3-aminopropoxy)propoxy]propan-2-amine has a molecular weight of 190.29 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopropoxy)propoxy]propan-2-amine is sourced from PubChem (CID 138696383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).