1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine

C13H28N2O2 — CID 113407671

IUPAC1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
SMILESCOCCNCC(C)NCCCC1CCCO1
InChIInChI=1S/C13H28N2O2/c1-12(11-14-8-10-16-2)15-7-3-5-13-6-4-9-17-13/h12-15H,3-11H2,1-2H3
InChIKeyRHRDDJIVKHNJMT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.16
Rot. Bonds10

About 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine

1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine (PubChem CID 113407671) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
PubChem CID113407671
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
SMILESCOCCNCC(C)NCCCC1CCCO1
InChIInChI=1S/C13H28N2O2/c1-12(11-14-8-10-16-2)15-7-3-5-13-6-4-9-17-13/h12-15H,3-11H2,1-2H3
InChIKeyRHRDDJIVKHNJMT-UHFFFAOYSA-N
XLogP1.16
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.16
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-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104626329
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 65163624
1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
CID 106494643
N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 103083062

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine (CID 113407671) is 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine is COCCNCC(C)NCCCC1CCCO1.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine?
The InChIKey is RHRDDJIVKHNJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(11-14-8-10-16-2)15-7-3-5-13-6-4-9-17-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine is sourced from PubChem (CID 113407671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).