8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C16H21BrN2 — CID 104802748

IUPAC8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2cncc(Br)c2)CC2CC1C1CCCC21
InChIInChI=1S/C16H21BrN2/c17-12-4-10(8-19-9-12)6-16(18)7-11-5-15(16)14-3-1-2-13(11)14/h4,8-9,11,13-15H,1-3,5-7,18H2
InChIKeyIDQGOZLZRWCZEU-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.54
Rot. Bonds2

About 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 104802748) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID104802748
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC Name8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2cncc(Br)c2)CC2CC1C1CCCC21
InChIInChI=1S/C16H21BrN2/c17-12-4-10(8-19-9-12)6-16(18)7-11-5-15(16)14-3-1-2-13(11)14/h4,8-9,11,13-15H,1-3,5-7,18H2
InChIKeyIDQGOZLZRWCZEU-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 79699258
1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine
CID 104802735
8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 55028623
1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104802690
8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 114931211
1-[(5-bromo-3-pyridinyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873956
4-[(5-bromo-3-pyridinyl)methyl]oxepan-4-amine
CID 104802931
1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 104802710
N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
CID 104810907
2-[(5-bromo-3-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 104812991
1-(3-aminocyclohexyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116569032
8-(2-propan-2-yloxyethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115002008

Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 104802748) is 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is NC1(Cc2cncc(Br)c2)CC2CC1C1CCCC21.
What is the InChIKey of 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is IDQGOZLZRWCZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2/c17-12-4-10(8-19-9-12)6-16(18)7-11-5-15(16)14-3-1-2-13(11)14/h4,8-9,11,13-15H,1-3,5-7,18H2.
What are the key properties of 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 321.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 104802748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).