2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine

C13H26N2O2 — CID 114466189

IUPAC2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)C1CCOC1
InChIInChI=1S/C13H26N2O2/c1-11(2)8-17-7-5-15-13(3,10-14)12-4-6-16-9-12/h12,15H,1,4-10,14H2,2-3H3
InChIKeyCVEFGYTXTGTAGV-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.92
Rot. Bonds8

About 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine

2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine (PubChem CID 114466189) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine
PubChem CID114466189
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)C1CCOC1
InChIInChI=1S/C13H26N2O2/c1-11(2)8-17-7-5-15-13(3,10-14)12-4-6-16-9-12/h12,15H,1,4-10,14H2,2-3H3
InChIKeyCVEFGYTXTGTAGV-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-methoxypropyl)-2-(oxolan-3-yl)propane-1,2-diamine
CID 102697366
2-cyclopropyl-3-methoxy-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 113589235
4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]oxepan-4-amine
CID 114466235
4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466426
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 114466516
3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
CID 114466544
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 114466572
3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
CID 114466636
3-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
CID 114466675
3-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-3-amine
CID 114466678
2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466700
2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
CID 114616000

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine (CID 114466189) is 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine is C=C(C)COCCNC(C)(CN)C1CCOC1.
What is the InChIKey of 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine?
The InChIKey is CVEFGYTXTGTAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)8-17-7-5-15-13(3,10-14)12-4-6-16-9-12/h12,15H,1,4-10,14H2,2-3H3.
What are the key properties of 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine?
2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 114466189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).