8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol

C18H39NO — CID 142257081

IUPAC8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol
SMILESCC(C)(C)CC(O)C(C)(C)C(C)(C)CC(N)C(C)(C)C
InChIInChI=1S/C18H39NO/c1-15(2,3)12-14(20)18(9,10)17(7,8)11-13(19)16(4,5)6/h13-14,20H,11-12,19H2,1-10H3
InChIKeyZLEFMQWBDNQSJV-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.60
Rot. Bonds5

About 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol

8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol (PubChem CID 142257081) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol.

Molecular Properties

Compound Name8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol
PubChem CID142257081
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol
SMILESCC(C)(C)CC(O)C(C)(C)C(C)(C)CC(N)C(C)(C)C
InChIInChI=1S/C18H39NO/c1-15(2,3)12-14(20)18(9,10)17(7,8)11-13(19)16(4,5)6/h13-14,20H,11-12,19H2,1-10H3
InChIKeyZLEFMQWBDNQSJV-UHFFFAOYSA-N
XLogP4.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-5-amino-2,2,6,6-tetramethylheptan-3-ol
CID 171237770
5-amino-2,2,6,6-tetramethylheptan-3-ol
CID 18738413
(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride
CID 171236853
(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
CID 58361159
2,2,7,7-tetramethyloctane-4,4,5-triol
CID 87646657
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride
CID 171237157
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
1-amino-3-methylbutane-1,3-diol;hydrochloride
CID 140998163
1,1,1-trifluoro-4,4-dimethylpentan-2-amine
CID 63898477
2,2,6,6-tetramethylheptane-3,4-diamine
CID 175410275
2,2,6,6-tetramethylheptan-4-ol;2,2,5,5-tetramethylhexan-3-ol;2,2,7,7-tetramethyloctan-3-ol;bis(2,2,7,7-tetramethyloctan-4-ol)
CID 160725323

Frequently Asked Questions

What is the IUPAC name of 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol?
The IUPAC name of 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol (CID 142257081) is 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol.
What is the SMILES notation for 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol?
The canonical SMILES for 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol is CC(C)(C)CC(O)C(C)(C)C(C)(C)CC(N)C(C)(C)C.
What is the InChIKey of 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol?
The InChIKey is ZLEFMQWBDNQSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-15(2,3)12-14(20)18(9,10)17(7,8)11-13(19)16(4,5)6/h13-14,20H,11-12,19H2,1-10H3.
What are the key properties of 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol?
8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol has a molecular weight of 285.52 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2,2,5,5,6,6,9,9-octamethyldecan-4-ol is sourced from PubChem (CID 142257081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).