(3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol

C10H21NO2 — CID 89241505

IUPAC(3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol
SMILESCCCCN[C@H]1C[C@@H](C)OC[C@@H]1O
InChIInChI=1S/C10H21NO2/c1-3-4-5-11-9-6-8(2)13-7-10(9)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeySFRPZVCRSOMXAD-UTLUCORTSA-N
MW187.28 g/mol
LogP0.91
Rot. Bonds4

About (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol

(3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol (PubChem CID 89241505) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol.

Molecular Properties

Compound Name(3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol
PubChem CID89241505
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol
SMILESCCCCN[C@H]1C[C@@H](C)OC[C@@H]1O
InChIInChI=1S/C10H21NO2/c1-3-4-5-11-9-6-8(2)13-7-10(9)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeySFRPZVCRSOMXAD-UTLUCORTSA-N
XLogP0.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol?
The IUPAC name of (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol (CID 89241505) is (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol.
What is the SMILES notation for (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol?
The canonical SMILES for (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol is CCCCN[C@H]1C[C@@H](C)OC[C@@H]1O.
What is the InChIKey of (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol?
The InChIKey is SFRPZVCRSOMXAD-UTLUCORTSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-11-9-6-8(2)13-7-10(9)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m1/s1.
What are the key properties of (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol?
(3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol is sourced from PubChem (CID 89241505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).