(4S,5R)-4-amino-2-methyltetradecan-5-ol

C15H33NO — CID 118735808

IUPAC(4S,5R)-4-amino-2-methyltetradecan-5-ol
SMILESCCCCCCCCC[C@@H](O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-11-15(17)14(16)12-13(2)3/h13-15,17H,4-12,16H2,1-3H3/t14-,15+/m0/s1
InChIKeyQDIFBPZIKXNYRP-LSDHHAIUSA-N
MW243.43 g/mol
LogP3.86
Rot. Bonds11

About (4S,5R)-4-amino-2-methyltetradecan-5-ol

(4S,5R)-4-amino-2-methyltetradecan-5-ol (PubChem CID 118735808) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is (4S,5R)-4-amino-2-methyltetradecan-5-ol.

Molecular Properties

Compound Name(4S,5R)-4-amino-2-methyltetradecan-5-ol
PubChem CID118735808
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name(4S,5R)-4-amino-2-methyltetradecan-5-ol
SMILESCCCCCCCCC[C@@H](O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-11-15(17)14(16)12-13(2)3/h13-15,17H,4-12,16H2,1-3H3/t14-,15+/m0/s1
InChIKeyQDIFBPZIKXNYRP-LSDHHAIUSA-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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Related Compounds

4-amino-2-methylundecan-5-ol
CID 72805371
13-aminoheptacosan-12-ol
CID 118194809
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
(2S,3S)-2-aminoundecan-3-ol
CID 132514193
2-aminotetradecan-3-ol
CID 10198494
(4R,5S)-4-aminodecane-1,2,5-triol
CID 101249167
1-aminooctadecane-1,2-diol
CID 54498715
16-methylheptadecane-7,8-diol
CID 118508542
(4R)-2-methyldecan-4-amine
CID 14572815

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-amino-2-methyltetradecan-5-ol?
The IUPAC name of (4S,5R)-4-amino-2-methyltetradecan-5-ol (CID 118735808) is (4S,5R)-4-amino-2-methyltetradecan-5-ol.
What is the SMILES notation for (4S,5R)-4-amino-2-methyltetradecan-5-ol?
The canonical SMILES for (4S,5R)-4-amino-2-methyltetradecan-5-ol is CCCCCCCCC[C@@H](O)[C@@H](N)CC(C)C.
What is the InChIKey of (4S,5R)-4-amino-2-methyltetradecan-5-ol?
The InChIKey is QDIFBPZIKXNYRP-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-11-15(17)14(16)12-13(2)3/h13-15,17H,4-12,16H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (4S,5R)-4-amino-2-methyltetradecan-5-ol?
(4S,5R)-4-amino-2-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 (4S,5R)-4-amino-2-methyltetradecan-5-ol is sourced from PubChem (CID 118735808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).