(3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine

C10H20N4O — CID 134310466

IUPAC(3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine
SMILESCC1O[C@H](CN=[N+]=[N-])C[C@H](N(C)C)[C@H]1C
InChIInChI=1S/C10H20N4O/c1-7-8(2)15-9(6-12-13-11)5-10(7)14(3)4/h7-10H,5-6H2,1-4H3/t7-,8?,9-,10-/m0/s1
InChIKeyIHYFBDPZSZWVDA-HFXXUHSDSA-N
MW212.30 g/mol
LogP2.04
Rot. Bonds3

About (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine

(3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine (PubChem CID 134310466) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine.

Molecular Properties

Compound Name(3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine
PubChem CID134310466
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name(3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine
SMILESCC1O[C@H](CN=[N+]=[N-])C[C@H](N(C)C)[C@H]1C
InChIInChI=1S/C10H20N4O/c1-7-8(2)15-9(6-12-13-11)5-10(7)14(3)4/h7-10H,5-6H2,1-4H3/t7-,8?,9-,10-/m0/s1
InChIKeyIHYFBDPZSZWVDA-HFXXUHSDSA-N
XLogP2.04
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine?
The IUPAC name of (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine (CID 134310466) is (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine.
What is the SMILES notation for (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine?
The canonical SMILES for (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine is CC1O[C@H](CN=[N+]=[N-])C[C@H](N(C)C)[C@H]1C.
What is the InChIKey of (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine?
The InChIKey is IHYFBDPZSZWVDA-HFXXUHSDSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7-8(2)15-9(6-12-13-11)5-10(7)14(3)4/h7-10H,5-6H2,1-4H3/t7-,8?,9-,10-/m0/s1.
What are the key properties of (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine?
(3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine has a molecular weight of 212.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine is sourced from PubChem (CID 134310466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).