(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol

C15H33NO — CID 118735810

IUPAC(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
SMILESCCCCCCCCC[C@@H](O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C15H33NO/c1-4-6-7-8-9-10-11-12-14(17)15(16)13(3)5-2/h13-15,17H,4-12,16H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeySGUSUTAEXWYUBL-ZNMIVQPWSA-N
MW243.43 g/mol
LogP3.86
Rot. Bonds11

About (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol

(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol (PubChem CID 118735810) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol.

Molecular Properties

Compound Name(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
PubChem CID118735810
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
SMILESCCCCCCCCC[C@@H](O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C15H33NO/c1-4-6-7-8-9-10-11-12-14(17)15(16)13(3)5-2/h13-15,17H,4-12,16H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeySGUSUTAEXWYUBL-ZNMIVQPWSA-N
XLogP3.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol?
The IUPAC name of (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol (CID 118735810) is (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol.
What is the SMILES notation for (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol?
The canonical SMILES for (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol is CCCCCCCCC[C@@H](O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol?
The InChIKey is SGUSUTAEXWYUBL-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-6-7-8-9-10-11-12-14(17)15(16)13(3)5-2/h13-15,17H,4-12,16H2,1-3H3/t13-,14+,15-/m0/s1.
What are the key properties of (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol?
(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol has a molecular weight of 243.43 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4-amino-3-methyltetradecan-5-ol is sourced from PubChem (CID 118735810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).