N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine

C13H28N2O — CID 115704238

IUPACN',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-4-15(5-2)9-6-8-14-12(3)13-7-10-16-11-13/h12-14H,4-11H2,1-3H3
InChIKeyFOSBCYOIAIXDRD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine

N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine (PubChem CID 115704238) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
PubChem CID115704238
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-4-15(5-2)9-6-8-14-12(3)13-7-10-16-11-13/h12-14H,4-11H2,1-3H3
InChIKeyFOSBCYOIAIXDRD-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307899
N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115714064
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115707883
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501
2-[2-(diethylamino)ethylamino]-2-(oxolan-3-yl)acetamide
CID 61005294
1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 115708798
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 102992372
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
2-[2-(diethylamino)ethylamino]-2-(oxan-4-yl)ethanol
CID 62392141

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine (CID 115704238) is N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine is CCN(CC)CCCNC(C)C1CCOC1.
What is the InChIKey of N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine?
The InChIKey is FOSBCYOIAIXDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-15(5-2)9-6-8-14-12(3)13-7-10-16-11-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine?
N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115704238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).