2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine

C15H23N3 — CID 130543512

IUPAC2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
SMILESCC(CN)N1CC2CC1CN2Cc1ccccc1
InChIInChI=1S/C15H23N3/c1-12(8-16)18-11-14-7-15(18)10-17(14)9-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11,16H2,1H3
InChIKeyRUBJYNMZJGTNAD-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.29
Rot. Bonds4

About 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine

2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine (PubChem CID 130543512) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
PubChem CID130543512
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
SMILESCC(CN)N1CC2CC1CN2Cc1ccccc1
InChIInChI=1S/C15H23N3/c1-12(8-16)18-11-14-7-15(18)10-17(14)9-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11,16H2,1H3
InChIKeyRUBJYNMZJGTNAD-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-2-benzyl-5-(dimethylphosphorylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 166403005
2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
CID 130543589
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
2-benzyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 175649956
6-benzyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 126752893
(1S,4S)-2-benzyl-5-(3-methoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 18640952
2-benzyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 126809494
[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 90065591
4-[(4S)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-fluoroaniline
CID 91341344
(1S,4S)-2-benzyl-5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 126829182
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The IUPAC name of 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine (CID 130543512) is 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The canonical SMILES for 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine is CC(CN)N1CC2CC1CN2Cc1ccccc1.
What is the InChIKey of 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The InChIKey is RUBJYNMZJGTNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(8-16)18-11-14-7-15(18)10-17(14)9-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11,16H2,1H3.
What are the key properties of 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine is sourced from PubChem (CID 130543512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).