(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane

C15H22N2 — CID 98049755

IUPAC(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
SMILESc1ccc(CN2[C@@H]3CCC[C@@H]2CNCC3)cc1
InChIInChI=1S/C15H22N2/c1-2-5-13(6-3-1)12-17-14-7-4-8-15(17)11-16-10-9-14/h1-3,5-6,14-16H,4,7-12H2/t14-,15-/m1/s1
InChIKeyKWSMBQIRGSLKBY-HUUCEWRRSA-N
MW230.36 g/mol
LogP2.40
Rot. Bonds2

About (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane

(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane (PubChem CID 98049755) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane.

Molecular Properties

Compound Name(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
PubChem CID98049755
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
SMILESc1ccc(CN2[C@@H]3CCC[C@@H]2CNCC3)cc1
InChIInChI=1S/C15H22N2/c1-2-5-13(6-3-1)12-17-14-7-4-8-15(17)11-16-10-9-14/h1-3,5-6,14-16H,4,7-12H2/t14-,15-/m1/s1
InChIKeyKWSMBQIRGSLKBY-HUUCEWRRSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 98295740
9-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120843930
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 68843951
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120966791
1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one
CID 82384888
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
CID 11859694

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane?
The IUPAC name of (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane (CID 98049755) is (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane.
What is the SMILES notation for (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane?
The canonical SMILES for (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane is c1ccc(CN2[C@@H]3CCC[C@@H]2CNCC3)cc1.
What is the InChIKey of (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane?
The InChIKey is KWSMBQIRGSLKBY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-5-13(6-3-1)12-17-14-7-4-8-15(17)11-16-10-9-14/h1-3,5-6,14-16H,4,7-12H2/t14-,15-/m1/s1.
What are the key properties of (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane?
(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane has a molecular weight of 230.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane is sourced from PubChem (CID 98049755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).