N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine

C11H24N2O — CID 62559957

IUPACN'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNC(C)C1CCCO1
InChIInChI=1S/C11H24N2O/c1-3-6-12-7-8-13-10(2)11-5-4-9-14-11/h10-13H,3-9H2,1-2H3
InChIKeyCPFHRYKXPXLIIB-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds7

About N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine

N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine (PubChem CID 62559957) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine
PubChem CID62559957
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNC(C)C1CCCO1
InChIInChI=1S/C11H24N2O/c1-3-6-12-7-8-13-10(2)11-5-4-9-14-11/h10-13H,3-9H2,1-2H3
InChIKeyCPFHRYKXPXLIIB-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine?
The IUPAC name of N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine (CID 62559957) is N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine is CCCNCCNC(C)C1CCCO1.
What is the InChIKey of N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine?
The InChIKey is CPFHRYKXPXLIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-6-12-7-8-13-10(2)11-5-4-9-14-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine?
N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 62559957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).