5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol

C21H45NO — CID 10882000

IUPAC5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol
SMILESCCCCN(CCCC)[C@@H](C(C)C)C(O)(CCCC)CCCC
InChIInChI=1S/C21H45NO/c1-7-11-15-21(23,16-12-8-2)20(19(5)6)22(17-13-9-3)18-14-10-4/h19-20,23H,7-18H2,1-6H3/t20-/m0/s1
InChIKeyVZGOADSYBJXFJL-FQEVSTJZSA-N
MW327.60 g/mol
LogP6.02
Rot. Bonds15

About 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol

5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol (PubChem CID 10882000) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol.

Molecular Properties

Compound Name5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol
PubChem CID10882000
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC Name5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol
SMILESCCCCN(CCCC)[C@@H](C(C)C)C(O)(CCCC)CCCC
InChIInChI=1S/C21H45NO/c1-7-11-15-21(23,16-12-8-2)20(19(5)6)22(17-13-9-3)18-14-10-4/h19-20,23H,7-18H2,1-6H3/t20-/m0/s1
InChIKeyVZGOADSYBJXFJL-FQEVSTJZSA-N
XLogP6.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol?
The IUPAC name of 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol (CID 10882000) is 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol.
What is the SMILES notation for 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol?
The canonical SMILES for 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol is CCCCN(CCCC)[C@@H](C(C)C)C(O)(CCCC)CCCC.
What is the InChIKey of 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol?
The InChIKey is VZGOADSYBJXFJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H45NO/c1-7-11-15-21(23,16-12-8-2)20(19(5)6)22(17-13-9-3)18-14-10-4/h19-20,23H,7-18H2,1-6H3/t20-/m0/s1.
What are the key properties of 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol?
5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol has a molecular weight of 327.60 g/mol, XLogP of 6.02, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol is sourced from PubChem (CID 10882000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).