1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol

C14H31NO2 — CID 163543191

IUPAC1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol
SMILESCCC(O)CNCC[C@H](C)CCC(C)(C)OC
InChIInChI=1S/C14H31NO2/c1-6-13(16)11-15-10-8-12(2)7-9-14(3,4)17-5/h12-13,15-16H,6-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyFCVQHXGAZBCEAO-PZORYLMUSA-N
MW245.41 g/mol
LogP2.58
Rot. Bonds10

About 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol

1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol (PubChem CID 163543191) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol
PubChem CID163543191
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol
SMILESCCC(O)CNCC[C@H](C)CCC(C)(C)OC
InChIInChI=1S/C14H31NO2/c1-6-13(16)11-15-10-8-12(2)7-9-14(3,4)17-5/h12-13,15-16H,6-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyFCVQHXGAZBCEAO-PZORYLMUSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol with MolForge

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Related Compounds

6-(2-Hydroxyethylamino)-2-methylheptan-2-ol
CID 2855227
(2R,3R,4S,5S)-5-fluoro-4-methyl-1-(methylamino)heptane-2,3-diol
CID 126716033
3-(Tert-butylamino)-8-methoxy-2,6-dimethyl-2-octanol
CID 12624459
3-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol
CID 106115145
3,7-Dimethyl-1-(methylamino)octane-2,3-diol
CID 13933145
1-(2-Hydroxyethylamino)-3,7-dimethyloctane-2,3-diol
CID 13933162
1-(2-Hydroxyethylamino)-3,7,11-trimethyldodecane-2,3-diol
CID 13933166
3,7,11-Trimethyl-1-(methylamino)dodecan-2-ol
CID 13933174
1-{[(2-Hydroxyethyl)amino]methyl}cyclohexan-1-ol
CID 19417680
1-(2-Hydroxyethylamino)-12-methylhenicosane-2,12-diol
CID 19694610
2-(3-Hydroxypropylamino)-3,7-dimethyloctane-1,3-diol
CID 19928741
1-(3-Hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol
CID 19928743

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol?
The IUPAC name of 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol (CID 163543191) is 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol.
What is the SMILES notation for 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol?
The canonical SMILES for 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol is CCC(O)CNCC[C@H](C)CCC(C)(C)OC.
What is the InChIKey of 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol?
The InChIKey is FCVQHXGAZBCEAO-PZORYLMUSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-13(16)11-15-10-8-12(2)7-9-14(3,4)17-5/h12-13,15-16H,6-11H2,1-5H3/t12-,13?/m1/s1.
What are the key properties of 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol?
1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol is sourced from PubChem (CID 163543191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).