[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine

C18H28N2 — CID 82135544

IUPAC[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine
SMILESCC1(C)CC2CC(C)(CN2Cc2ccccc2CN)C1
InChIInChI=1S/C18H28N2/c1-17(2)8-16-9-18(3,12-17)13-20(16)11-15-7-5-4-6-14(15)10-19/h4-7,16H,8-13,19H2,1-3H3
InChIKeyYVYRPTQUBSERNU-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.55
Rot. Bonds3

About [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine

[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine (PubChem CID 82135544) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine
PubChem CID82135544
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine
SMILESCC1(C)CC2CC(C)(CN2Cc2ccccc2CN)C1
InChIInChI=1S/C18H28N2/c1-17(2)8-16-9-18(3,12-17)13-20(16)11-15-7-5-4-6-14(15)10-19/h4-7,16H,8-13,19H2,1-3H3
InChIKeyYVYRPTQUBSERNU-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine (CID 82135544) is [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine is CC1(C)CC2CC(C)(CN2Cc2ccccc2CN)C1.
What is the InChIKey of [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine?
The InChIKey is YVYRPTQUBSERNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-17(2)8-16-9-18(3,12-17)13-20(16)11-15-7-5-4-6-14(15)10-19/h4-7,16H,8-13,19H2,1-3H3.
What are the key properties of [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine?
[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 82135544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).