3-(3-aminopropoxy)propan-1-amine;ethane

C8H22N2O — CID 23031033

IUPAC3-(3-aminopropoxy)propan-1-amine;ethane
SMILESCC.NCCCOCCCN
InChIInChI=1S/C6H16N2O.C2H6/c7-3-1-5-9-6-2-4-8;1-2/h1-8H2;1-2H3
InChIKeyMSMINAPGALJGEC-UHFFFAOYSA-N
MW162.28 g/mol
LogP0.73
Rot. Bonds6

About 3-(3-aminopropoxy)propan-1-amine;ethane

3-(3-aminopropoxy)propan-1-amine;ethane (PubChem CID 23031033) has the molecular formula C8H22N2O and a molecular weight of 162.28 g/mol. Its IUPAC name is 3-(3-aminopropoxy)propan-1-amine;ethane.

Molecular Properties

Compound Name3-(3-aminopropoxy)propan-1-amine;ethane
PubChem CID23031033
Molecular FormulaC8H22N2O
Molecular Weight162.28 g/mol
Exact Mass162.17
IUPAC Name3-(3-aminopropoxy)propan-1-amine;ethane
SMILESCC.NCCCOCCCN
InChIInChI=1S/C6H16N2O.C2H6/c7-3-1-5-9-6-2-4-8;1-2/h1-8H2;1-2H3
InChIKeyMSMINAPGALJGEC-UHFFFAOYSA-N
XLogP0.73
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
ethane;3-[2-(methylamino)ethoxy]propan-1-amine
CID 170614807
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
3-(2-chloroethoxy)propan-1-amine
CID 106306176
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)propan-1-amine;ethane?
The IUPAC name of 3-(3-aminopropoxy)propan-1-amine;ethane (CID 23031033) is 3-(3-aminopropoxy)propan-1-amine;ethane.
What is the SMILES notation for 3-(3-aminopropoxy)propan-1-amine;ethane?
The canonical SMILES for 3-(3-aminopropoxy)propan-1-amine;ethane is CC.NCCCOCCCN.
What is the InChIKey of 3-(3-aminopropoxy)propan-1-amine;ethane?
The InChIKey is MSMINAPGALJGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.C2H6/c7-3-1-5-9-6-2-4-8;1-2/h1-8H2;1-2H3.
What are the key properties of 3-(3-aminopropoxy)propan-1-amine;ethane?
3-(3-aminopropoxy)propan-1-amine;ethane has a molecular weight of 162.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)propan-1-amine;ethane is sourced from PubChem (CID 23031033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).