(3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol

C15H33NO — CID 153160208

IUPAC(3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol
SMILESCC[C@H](O)C[C@@](C)(CCCNC(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-7-14(17)11-15(6,12(2)3)9-8-10-16-13(4)5/h12-14,16-17H,7-11H2,1-6H3/t14-,15+/m0/s1
InChIKeyWCFFJLAOCDCNBR-LSDHHAIUSA-N
MW243.43 g/mol
LogP3.59
Rot. Bonds9

About (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol

(3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol (PubChem CID 153160208) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol
PubChem CID153160208
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name(3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol
SMILESCC[C@H](O)C[C@@](C)(CCCNC(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-7-14(17)11-15(6,12(2)3)9-8-10-16-13(4)5/h12-14,16-17H,7-11H2,1-6H3/t14-,15+/m0/s1
InChIKeyWCFFJLAOCDCNBR-LSDHHAIUSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol with MolForge

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Related Compounds

(2S,4R)-4-fluoro-7,7-dimethyl-8-(propan-2-ylamino)octan-2-ol
CID 164170818
(2R,4S,6S)-2-tert-butyl-6-cyclohexylpiperidin-4-ol
CID 102259870
3,3',5,5'-Tetra-t-butyl-4,4'-dihydroxydibutylamine
CID 129805607
1,3-Bis(6-aminohexylamino)-4,4,5-trimethylnonan-2-ol
CID 20033948
5,6-Dimethyl-3-(methylamino)octan-4-ol
CID 20658869
2-Tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol
CID 23042262
11-(10-Methylundecylamino)undecan-2-ol
CID 54024707
2-tert-butyl-3,3-dimethyl-2-[(2S)-piperidin-2-yl]butan-1-ol
CID 54486121
1-(4-Methylundecan-3-ylamino)tetracosan-1-ol
CID 58879445
(1R)-2,2-dimethyl-1-piperidin-2-ylpropan-1-ol
CID 59203308
(1S)-2,2-dimethyl-1-piperidin-2-ylpropan-1-ol
CID 59203312
trans-(1S,2S)-2-[(propan-2-ylamino)methyl]cycloheptan-1-ol
CID 59744976

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol?
The IUPAC name of (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol (CID 153160208) is (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol.
What is the SMILES notation for (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol?
The canonical SMILES for (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol is CC[C@H](O)C[C@@](C)(CCCNC(C)C)C(C)C.
What is the InChIKey of (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol?
The InChIKey is WCFFJLAOCDCNBR-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-14(17)11-15(6,12(2)3)9-8-10-16-13(4)5/h12-14,16-17H,7-11H2,1-6H3/t14-,15+/m0/s1.
What are the key properties of (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol?
(3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol has a molecular weight of 243.43 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-5-propan-2-yl-8-(propan-2-ylamino)octan-3-ol is sourced from PubChem (CID 153160208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).