[5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine

C13H26N2O2 — CID 175512659

IUPAC[5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine
SMILESCCC(C1CCC(CN)O1)C1CCC(CN)O1
InChIInChI=1S/C13H26N2O2/c1-2-11(12-5-3-9(7-14)16-12)13-6-4-10(8-15)17-13/h9-13H,2-8,14-15H2,1H3
InChIKeyCWKSOCNGNVMLBV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds5

About [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine

[5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine (PubChem CID 175512659) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine
PubChem CID175512659
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine
SMILESCCC(C1CCC(CN)O1)C1CCC(CN)O1
InChIInChI=1S/C13H26N2O2/c1-2-11(12-5-3-9(7-14)16-12)13-6-4-10(8-15)17-13/h9-13H,2-8,14-15H2,1H3
InChIKeyCWKSOCNGNVMLBV-UHFFFAOYSA-N
XLogP1.03
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine (CID 175512659) is [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine is CCC(C1CCC(CN)O1)C1CCC(CN)O1.
What is the InChIKey of [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine?
The InChIKey is CWKSOCNGNVMLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-11(12-5-3-9(7-14)16-12)13-6-4-10(8-15)17-13/h9-13H,2-8,14-15H2,1H3.
What are the key properties of [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine?
[5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine has a molecular weight of 242.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[5-(aminomethyl)oxolan-2-yl]propyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 175512659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).