(3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine

C19H39NO2 — CID 122365198

IUPAC(3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine
SMILESCCCCCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1OC
InChIInChI=1S/C19H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(21-2)17(20)16-22-18/h17-19H,3-16,20H2,1-2H3/t17-,18+,19+/m1/s1
InChIKeyGQNXWXAJNIMWSD-QYZOEREBSA-N
MW313.53 g/mol
LogP4.82
Rot. Bonds14

About (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine

(3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine (PubChem CID 122365198) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine
PubChem CID122365198
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name(3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine
SMILESCCCCCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1OC
InChIInChI=1S/C19H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(21-2)17(20)16-22-18/h17-19H,3-16,20H2,1-2H3/t17-,18+,19+/m1/s1
InChIKeyGQNXWXAJNIMWSD-QYZOEREBSA-N
XLogP4.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pachastrissamine
CID 9814817
(2S,3S,4R)-4-amino-2-tetradecyloxolan-3-ol
CID 53494962
(2S,3S,4R)-4-amino-2-[11-(2-methylpropoxy)undecyl]oxolan-3-ol
CID 137633994
2,3-Didodecoxypropan-1-amine
CID 10180941
2-Epi jaspine B
CID 15907342
(2S,3R,4S)-4-amino-2-tetradecyloxolan-3-ol
CID 44569795
(2R,3R,4S)-4-amino-2-tetradecyloxolan-3-ol
CID 44569796
(2S,3S,4R)-4-amino-2-(6-heptoxyhexyl)oxolan-3-ol
CID 137658079
(2S,3R,4R)-4-amino-2-tetradecyloxolan-3-ol
CID 53375383
(2R,3S,4R)-4-amino-2-tetradecyloxolan-3-ol
CID 53494963
(2R,3R,4R)-4-Amino-2-tetradecyloxolan-3-OL
CID 44627054
(2S,3S,4R)-4-amino-2-(4-nonoxybutyl)oxolan-3-ol
CID 137649154

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine?
The IUPAC name of (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine (CID 122365198) is (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine.
What is the SMILES notation for (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine?
The canonical SMILES for (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine is CCCCCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1OC.
What is the InChIKey of (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine?
The InChIKey is GQNXWXAJNIMWSD-QYZOEREBSA-N. The full InChI is InChI=1S/C19H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(21-2)17(20)16-22-18/h17-19H,3-16,20H2,1-2H3/t17-,18+,19+/m1/s1.
What are the key properties of (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine?
(3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine has a molecular weight of 313.53 g/mol, XLogP of 4.82, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-4-methoxy-5-tetradecyloxolan-3-amine is sourced from PubChem (CID 122365198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).