4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine

C12H27N3O2 — CID 157123069

IUPAC4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine
SMILESNCC1(N)CCOCC1.NCC1CCOCC1
InChIInChI=1S/C6H14N2O.C6H13NO/c7-5-6(8)1-3-9-4-2-6;7-5-6-1-3-8-4-2-6/h1-5,7-8H2;6H,1-5,7H2
InChIKeyAIEWJKKWLDGWMD-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.18
Rot. Bonds2

About 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine

4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine (PubChem CID 157123069) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine.

Molecular Properties

Compound Name4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine
PubChem CID157123069
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine
SMILESNCC1(N)CCOCC1.NCC1CCOCC1
InChIInChI=1S/C6H14N2O.C6H13NO/c7-5-6(8)1-3-9-4-2-6;7-5-6-1-3-8-4-2-6/h1-5,7-8H2;6H,1-5,7H2
InChIKeyAIEWJKKWLDGWMD-UHFFFAOYSA-N
XLogP-0.18
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine?
The IUPAC name of 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine (CID 157123069) is 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine.
What is the SMILES notation for 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine?
The canonical SMILES for 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine is NCC1(N)CCOCC1.NCC1CCOCC1.
What is the InChIKey of 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine?
The InChIKey is AIEWJKKWLDGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C6H13NO/c7-5-6(8)1-3-9-4-2-6;7-5-6-1-3-8-4-2-6/h1-5,7-8H2;6H,1-5,7H2.
What are the key properties of 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine?
4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine has a molecular weight of 245.37 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)oxan-4-amine;oxan-4-ylmethanamine is sourced from PubChem (CID 157123069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).