(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

C23H30N2O — CID 6355846

IUPAC(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCN1C[C@@]2(C)CN(C(c3ccccc3)c3ccccc3)C[C@](C)(C1)C2O
InChIInChI=1S/C23H30N2O/c1-22-14-24(3)15-23(2,21(22)26)17-25(16-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21,26H,14-17H2,1-3H3/t22-,23-/m0/s1
InChIKeyUKYMTLSOXQIYEO-GOTSBHOMSA-N
MW350.51 g/mol
LogP3.41
Rot. Bonds3

About (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (PubChem CID 6355846) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
PubChem CID6355846
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCN1C[C@@]2(C)CN(C(c3ccccc3)c3ccccc3)C[C@](C)(C1)C2O
InChIInChI=1S/C23H30N2O/c1-22-14-24(3)15-23(2,21(22)26)17-25(16-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21,26H,14-17H2,1-3H3/t22-,23-/m0/s1
InChIKeyUKYMTLSOXQIYEO-GOTSBHOMSA-N
XLogP3.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (CID 6355846) is (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is CN1C[C@@]2(C)CN(C(c3ccccc3)c3ccccc3)C[C@](C)(C1)C2O.
What is the InChIKey of (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The InChIKey is UKYMTLSOXQIYEO-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H30N2O/c1-22-14-24(3)15-23(2,21(22)26)17-25(16-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21,26H,14-17H2,1-3H3/t22-,23-/m0/s1.
What are the key properties of (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol has a molecular weight of 350.51 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 6355846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).