N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine

C17H27N3 — CID 58885071

IUPACN-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)N1C2CCC1CC(NCc1ccccc1N)C2
InChIInChI=1S/C17H27N3/c1-12(2)20-15-7-8-16(20)10-14(9-15)19-11-13-5-3-4-6-17(13)18/h3-6,12,14-16,19H,7-11,18H2,1-2H3
InChIKeyCGGZEFIQYITGIN-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.76
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine

N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 58885071) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID58885071
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)N1C2CCC1CC(NCc1ccccc1N)C2
InChIInChI=1S/C17H27N3/c1-12(2)20-15-7-8-16(20)10-14(9-15)19-11-13-5-3-4-6-17(13)18/h3-6,12,14-16,19H,7-11,18H2,1-2H3
InChIKeyCGGZEFIQYITGIN-UHFFFAOYSA-N
XLogP2.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131729
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 136571493
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66385034
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
3-[(2-aminophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252839
N-[(2-ethoxyphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472919

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine (CID 58885071) is N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine is CC(C)N1C2CCC1CC(NCc1ccccc1N)C2.
What is the InChIKey of N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CGGZEFIQYITGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(2)20-15-7-8-16(20)10-14(9-15)19-11-13-5-3-4-6-17(13)18/h3-6,12,14-16,19H,7-11,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 58885071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).