(3S)-6-(aminomethyl)oxan-3-amine

C6H14N2O — CID 89349437

IUPAC(3S)-6-(aminomethyl)oxan-3-amine
SMILESNCC1CC[C@H](N)CO1
InChIInChI=1S/C6H14N2O/c7-3-6-2-1-5(8)4-9-6/h5-6H,1-4,7-8H2/t5-,6?/m0/s1
InChIKeyWXHKHYXNDHDLFL-ZBHICJROSA-N
MW130.19 g/mol
LogP-0.55
Rot. Bonds1

About (3S)-6-(aminomethyl)oxan-3-amine

(3S)-6-(aminomethyl)oxan-3-amine (PubChem CID 89349437) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3S)-6-(aminomethyl)oxan-3-amine.

Molecular Properties

Compound Name(3S)-6-(aminomethyl)oxan-3-amine
PubChem CID89349437
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3S)-6-(aminomethyl)oxan-3-amine
SMILESNCC1CC[C@H](N)CO1
InChIInChI=1S/C6H14N2O/c7-3-6-2-1-5(8)4-9-6/h5-6H,1-4,7-8H2/t5-,6?/m0/s1
InChIKeyWXHKHYXNDHDLFL-ZBHICJROSA-N
XLogP-0.55
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-(aminomethyl)oxan-3-amine?
The IUPAC name of (3S)-6-(aminomethyl)oxan-3-amine (CID 89349437) is (3S)-6-(aminomethyl)oxan-3-amine.
What is the SMILES notation for (3S)-6-(aminomethyl)oxan-3-amine?
The canonical SMILES for (3S)-6-(aminomethyl)oxan-3-amine is NCC1CC[C@H](N)CO1.
What is the InChIKey of (3S)-6-(aminomethyl)oxan-3-amine?
The InChIKey is WXHKHYXNDHDLFL-ZBHICJROSA-N. The full InChI is InChI=1S/C6H14N2O/c7-3-6-2-1-5(8)4-9-6/h5-6H,1-4,7-8H2/t5-,6?/m0/s1.
What are the key properties of (3S)-6-(aminomethyl)oxan-3-amine?
(3S)-6-(aminomethyl)oxan-3-amine has a molecular weight of 130.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(aminomethyl)oxan-3-amine is sourced from PubChem (CID 89349437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).