(E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol

C24H49NO — CID 89044776

IUPAC(E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol
SMILESCCCCCCCCCCCCC/C=C/[C@@H](C)[C@@H](N)C(C)(C)CC(C)O
InChIInChI=1S/C24H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)23(25)24(4,5)20-22(3)26/h18-19,21-23,26H,6-17,20,25H2,1-5H3/b19-18+/t21-,22?,23-/m1/s1
InChIKeyNYEUAMCONNYTSX-KYFCRJRISA-N
MW367.66 g/mol
LogP7.00
Rot. Bonds17

About (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol

(E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol (PubChem CID 89044776) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol.

Molecular Properties

Compound Name(E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol
PubChem CID89044776
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name(E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol
SMILESCCCCCCCCCCCCC/C=C/[C@@H](C)[C@@H](N)C(C)(C)CC(C)O
InChIInChI=1S/C24H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)23(25)24(4,5)20-22(3)26/h18-19,21-23,26H,6-17,20,25H2,1-5H3/b19-18+/t21-,22?,23-/m1/s1
InChIKeyNYEUAMCONNYTSX-KYFCRJRISA-N
XLogP7.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 89393262
8,16-Octadecadiene-1,3,14-triol, 2-amino-5,9,13,17-tetramethyl-, (2S,3S,5S,8E,13R,14S)-
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3-(Aminomethyl)nonadec-10-en-1-ol
CID 54391773
(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol
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3-Amino-4-hexadec-7-enylhexane-1,6-diol
CID 57070237
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(4S)-1-amino-5-ethenyl-2,8-dimethylnonan-4-ol
CID 57290122
(E,5S,6R)-5-amino-2-methylhenicos-7-en-6-ol
CID 59013492
(E,6S,7R)-6-amino-3-methyldocos-8-en-7-ol
CID 59013493
(1R)-2-amino-1-(1-methylcyclohex-3-en-1-yl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol?
The IUPAC name of (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol (CID 89044776) is (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol.
What is the SMILES notation for (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol?
The canonical SMILES for (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol is CCCCCCCCCCCCC/C=C/[C@@H](C)[C@@H](N)C(C)(C)CC(C)O.
What is the InChIKey of (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol?
The InChIKey is NYEUAMCONNYTSX-KYFCRJRISA-N. The full InChI is InChI=1S/C24H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)23(25)24(4,5)20-22(3)26/h18-19,21-23,26H,6-17,20,25H2,1-5H3/b19-18+/t21-,22?,23-/m1/s1.
What are the key properties of (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol?
(E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol has a molecular weight of 367.66 g/mol, XLogP of 7.00, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol is sourced from PubChem (CID 89044776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).